DOI: 10.1023/a:1008040531766. Combinatorial docking and combinatorial chemistry: Design of potent non-peptide thrombin inhibitors

Combinatorial docking and combinatorial chemistry: Design of potent non-peptide thrombin inhibitors

10.1023/a:1008040531766

Crossref journal-article

Springer Science and Business Media LLC

Journal of Computer-Aided Molecular Design (297)

Bibliography

BÃ¶hm, H.-J., Banner, D. W., & Weber, L. (1999). Combinatorial docking and combinatorial chemistry: Design of potent non-peptide thrombin inhibitors. Journal of Computer-Aided Molecular Design, 13(1), 51â56.

Authors 3

Hans-Joachim Böhm (first)
David W. Banner (additional)
Lutz Weber (additional)

References 23 Referenced 76

Babine, R.E. and Bender, S.L., Chem. Rev., 97 (1997) 1359. (10.1021/cr960370z) / Chem. Rev. by R.E. Babine (1997)
Kaldor, S.W., Kalish, V.J., Davies, J.F., Shetty, B.V., Fritz, J.E., Appelt, K., Burgess, J.A., Campanale, K.M., Chirgadze, N.Y., Clawson, D.K., Dressmann, B.A., Hatch, S.D., Khalil, D.A., Kosa, M.B., Lubbehusen, P.P., Muesing, M.A., Patick, A.K., Reich, S.H., Su, K.S. and Tatlock, J.H., J. Med. Chem., 40 (1997) 3979. (10.1021/jm9704098) / J. Med. Chem. by S.W. Kaldor (1997)
Hubbard, R.E., Curr. Opin. Biotech., 8 (1997) 696. (10.1016/S0958-1669(97)80122-X) / Curr. Opin. Biotech. by R.E. Hubbard (1997)
Cohen, N.C., Blaney, J.M., Humblet, C., Gund, P. and Barry, D.C., J. Med. Chem., 33 (1990) 883. (10.1021/jm00165a001) / J. Med. Chem. by N.C. Cohen (1990)
Lewis, R.A. and Leach, A.R., J. Comput.-Aided Mol. Design, 8 (1994) 467. (10.1007/BF00125381) / J. Comput.-Aided Mol. Design by R.A. Lewis (1994)
Böhm, H.J., Prog. Biophys. Mol. Biol., 66 (1996) 197. (10.1016/S0079-6107(97)00005-9) / Prog. Biophys. Mol. Biol. by H.J. Böhm (1996)
Rich, D.H., Bohacek, R.S., Dales, N.A., Glunz, P. and Ripka, A.S., Chimia, 51 (1997) 45. (10.2533/chimia.1997.45) / Chimia by D.H. Rich (1997)
Mack, H., Pfeiffer, T., Hornberger, W., Böhm, H.J. and Höffken, W., J. Enz. Inh., 9 (1995) 73. / J. Enz. Inh. by H. Mack (1995)
Obst, U., Banner, D.W., Weber, L. and Diederich, F., Chem. Biol., 4 (1997) 287. (10.1016/S1074-5521(97)90072-7) / Chem. Biol. by U. Obst (1997)
Böhm, H.J., In van de Waterbeemd, H., Testa, B. and Folkers, G. (Eds), Computer-assisted Lead Finding and Optimization, Wiley-VCH, Weinheim, 1997, p. 125. / Computer-assisted Lead Finding and Optimization by H.J. Böhm (1997)
Böhm, H.J., J. Comput.-Aided Mol. Design, 6 (1992) 61, 593. / J. Comput.-Aided Mol. Design by H.J. Böhm (1992)
Böhm, H.J., J. Comput.-Aided Mol. Design, 8 (1994) 243. (10.1007/BF00126743) / J. Comput.-Aided Mol. Design by H.J. Böhm (1994)
Böhm, H.J., J. Comput.-Aided Mol. Design, 10 (1996) 265. (10.1007/BF00124496) / J. Comput.-Aided Mol. Design by H.J. Böhm (1996)
The available chemicals directory can be obtained from MDL Information Systems, Inc., San Leandro, CA.
Sadowski, J., Rudolph, C. and Gasteiger, J., Tetrahedron Comput. Method., 3 (1990) 537. (10.1016/0898-5529(90)90156-3) / Tetrahedron Comput. Method. by J. Sadowski (1990)
Yan, I.Y., Slusher, R.M., Broom, A.D., Ueda, T. and Cheng, Y.C., J. Med. Chem., 31 (1988) 2137. / J. Med. Chem. by I.Y. Yan (1988)
Hilpert, K., Ackermann, J., Banner, D.W., Gast, A., Gubernator, K., Hadvary, P., Labler, L., Müller, K., Schmid, G., Tschopp, T.B. and van de Waterbeemd, H., J. Med. Chem., 37 (1994) 3889. (10.1021/jm00049a008) / J. Med. Chem. by K. Hilpert (1994)
Russo, G., Gast, A., Schlaeger, E.J., Angiolillo, A. and Pietropaolo, C., Protein Expr. Purif., 10 (1997) 214. (10.1006/prep.1997.0733) / Protein Expr. Purif. by G. Russo (1997)
Kabsch, W., J. Appl. Crystallogr., 26 (1993) 795. (10.1107/S0021889893005588) / J. Appl. Crystallogr. by W. Kabsch (1993)
Brünger, A., 1992, X-PLOR v3.1 Manual (Yale University Press, New Haven, CT). / X-PLOR v3.1 Manual by A. Brünger (1992)
Banner, D.W. and Hadváry, P., J. Biol. Chem., 266 (1991) 20085. (10.1016/S0021-9258(18)54894-8) / J. Biol. Chem. by D.W. Banner (1991)
Tucker, T.J., Lumma, W.C., Lewis, S.D., Gardell, S.J., Lucas, B.J., Baskin, E.P., Woltmann, R., Lynch, J.J., Lyle, E.A., Appleby, S.D., Chen, I., Dancheck, K.B. and Vacca, J.P., J. Med. Chem., 40 (1997) 1565. (10.1021/jm970140s) / J. Med. Chem. by T.J. Tucker (1997)
Weber, L., Wallbaum, S., Broger, C. and Gubernator, K., Angew. Chem. Int. Ed. Engl., 34 (1995) 2280. (10.1002/anie.199522801) / Angew. Chem. Int. Ed. Engl. by L. Weber (1995)

Dates

Type	When
Created	22 years, 8 months ago (Dec. 22, 2002, 7:45 a.m.)
Deposited	3 months ago (June 5, 2025, 7:26 a.m.)
Indexed	1 month ago (Aug. 2, 2025, 12:46 a.m.)
Issued	26 years, 8 months ago (Jan. 1, 1999)
Published	26 years, 8 months ago (Jan. 1, 1999)
Published Print	26 years, 8 months ago (Jan. 1, 1999)

Funders 0

None

BibTeX

@article{B_hm_1999, title={Combinatorial docking and combinatorial chemistry: Design of potent non-peptide thrombin inhibitors}, volume={13}, ISSN={1573-4951}, url={http://dx.doi.org/10.1023/a:1008040531766}, DOI={10.1023/a:1008040531766}, number={1}, journal={Journal of Computer-Aided Molecular Design}, publisher={Springer Science and Business Media LLC}, author={Böhm, Hans-Joachim and Banner, David W. and Weber, Lutz}, year={1999}, month=jan, pages={51–56} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        2
      ]
    ],
    "date-time": "2025-08-02T04:46:11Z",
    "timestamp": 1754109971895,
    "version": "3.41.0"
  },
  "reference-count": 23,
  "publisher": "Springer Science and Business Media LLC",
  "issue": "1",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1999,
            1,
            1
          ]
        ],
        "date-time": "1999-01-01T00:00:00Z",
        "timestamp": 915148800000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "https://www.springernature.com/gp/researchers/text-and-data-mining"
    },
    {
      "start": {
        "date-parts": [
          [
            1999,
            1,
            1
          ]
        ],
        "date-time": "1999-01-01T00:00:00Z",
        "timestamp": 915148800000
      },
      "content-version": "vor",
      "delay-in-days": 0,
      "URL": "https://www.springernature.com/gp/researchers/text-and-data-mining"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1999,
        1
      ]
    ]
  },
  "DOI": "10.1023/a:1008040531766",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        12,
        22
      ]
    ],
    "date-time": "2002-12-22T12:45:23Z",
    "timestamp": 1040561123000
  },
  "page": "51-56",
  "source": "Crossref",
  "is-referenced-by-count": 76,
  "title": "Combinatorial docking and combinatorial chemistry: Design of potent non-peptide thrombin inhibitors",
  "prefix": "10.1007",
  "volume": "13",
  "author": [
    {
      "given": "Hans-Joachim",
      "family": "B\u00f6hm",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "David W.",
      "family": "Banner",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "Lutz",
      "family": "Weber",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "297",
  "reference": [
    {
      "key": "186736_CR1",
      "doi-asserted-by": "crossref",
      "first-page": "1359",
      "DOI": "10.1021/cr960370z",
      "volume": "97",
      "author": "R.E. Babine",
      "year": "1997",
      "unstructured": "Babine, R.E. and Bender, S.L., Chem. Rev., 97 (1997) 1359.",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "186736_CR2",
      "doi-asserted-by": "crossref",
      "first-page": "3979",
      "DOI": "10.1021/jm9704098",
      "volume": "40",
      "author": "S.W. Kaldor",
      "year": "1997",
      "unstructured": "Kaldor, S.W., Kalish, V.J., Davies, J.F., Shetty, B.V., Fritz, J.E., Appelt, K., Burgess, J.A., Campanale, K.M., Chirgadze, N.Y., Clawson, D.K., Dressmann, B.A., Hatch, S.D., Khalil, D.A., Kosa, M.B., Lubbehusen, P.P., Muesing, M.A., Patick, A.K., Reich, S.H., Su, K.S. and Tatlock, J.H., J. Med. Chem., 40 (1997) 3979.",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "186736_CR3",
      "doi-asserted-by": "crossref",
      "first-page": "696",
      "DOI": "10.1016/S0958-1669(97)80122-X",
      "volume": "8",
      "author": "R.E. Hubbard",
      "year": "1997",
      "unstructured": "Hubbard, R.E., Curr. Opin. Biotech., 8 (1997) 696.",
      "journal-title": "Curr. Opin. Biotech."
    },
    {
      "key": "186736_CR4",
      "doi-asserted-by": "crossref",
      "first-page": "883",
      "DOI": "10.1021/jm00165a001",
      "volume": "33",
      "author": "N.C. Cohen",
      "year": "1990",
      "unstructured": "Cohen, N.C., Blaney, J.M., Humblet, C., Gund, P. and Barry, D.C., J. Med. Chem., 33 (1990) 883.",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "186736_CR5",
      "doi-asserted-by": "crossref",
      "first-page": "467",
      "DOI": "10.1007/BF00125381",
      "volume": "8",
      "author": "R.A. Lewis",
      "year": "1994",
      "unstructured": "Lewis, R.A. and Leach, A.R., J. Comput.-Aided Mol. Design, 8 (1994) 467.",
      "journal-title": "J. Comput.-Aided Mol. Design"
    },
    {
      "key": "186736_CR6",
      "doi-asserted-by": "crossref",
      "first-page": "197",
      "DOI": "10.1016/S0079-6107(97)00005-9",
      "volume": "66",
      "author": "H.J. B\u00f6hm",
      "year": "1996",
      "unstructured": "B\u00f6hm, H.J., Prog. Biophys. Mol. Biol., 66 (1996) 197.",
      "journal-title": "Prog. Biophys. Mol. Biol."
    },
    {
      "key": "186736_CR7",
      "doi-asserted-by": "crossref",
      "first-page": "45",
      "DOI": "10.2533/chimia.1997.45",
      "volume": "51",
      "author": "D.H. Rich",
      "year": "1997",
      "unstructured": "Rich, D.H., Bohacek, R.S., Dales, N.A., Glunz, P. and Ripka, A.S., Chimia, 51 (1997) 45.",
      "journal-title": "Chimia"
    },
    {
      "key": "186736_CR8",
      "first-page": "73",
      "volume": "9",
      "author": "H. Mack",
      "year": "1995",
      "unstructured": "Mack, H., Pfeiffer, T., Hornberger, W., B\u00f6hm, H.J. and H\u00f6ffken, W., J. Enz. Inh., 9 (1995) 73.",
      "journal-title": "J. Enz. Inh."
    },
    {
      "key": "186736_CR9",
      "doi-asserted-by": "crossref",
      "first-page": "287",
      "DOI": "10.1016/S1074-5521(97)90072-7",
      "volume": "4",
      "author": "U. Obst",
      "year": "1997",
      "unstructured": "Obst, U., Banner, D.W., Weber, L. and Diederich, F., Chem. Biol., 4 (1997) 287.",
      "journal-title": "Chem. Biol."
    },
    {
      "key": "186736_CR10",
      "first-page": "125",
      "volume-title": "Computer-assisted Lead Finding and Optimization",
      "author": "H.J. B\u00f6hm",
      "year": "1997",
      "unstructured": "B\u00f6hm, H.J., In van de Waterbeemd, H., Testa, B. and Folkers, G. (Eds), Computer-assisted Lead Finding and Optimization, Wiley-VCH, Weinheim, 1997, p. 125."
    },
    {
      "key": "186736_CR11",
      "first-page": "61, 593",
      "volume": "6",
      "author": "H.J. B\u00f6hm",
      "year": "1992",
      "unstructured": "B\u00f6hm, H.J., J. Comput.-Aided Mol. Design, 6 (1992) 61, 593.",
      "journal-title": "J. Comput.-Aided Mol. Design"
    },
    {
      "key": "186736_CR12",
      "doi-asserted-by": "crossref",
      "first-page": "243",
      "DOI": "10.1007/BF00126743",
      "volume": "8",
      "author": "H.J. B\u00f6hm",
      "year": "1994",
      "unstructured": "B\u00f6hm, H.J., J. Comput.-Aided Mol. Design, 8 (1994) 243.",
      "journal-title": "J. Comput.-Aided Mol. Design"
    },
    {
      "key": "186736_CR13",
      "doi-asserted-by": "crossref",
      "first-page": "265",
      "DOI": "10.1007/BF00124496",
      "volume": "10",
      "author": "H.J. B\u00f6hm",
      "year": "1996",
      "unstructured": "B\u00f6hm, H.J., J. Comput.-Aided Mol. Design, 10 (1996) 265.",
      "journal-title": "J. Comput.-Aided Mol. Design"
    },
    {
      "key": "186736_CR14",
      "unstructured": "The available chemicals directory can be obtained from MDL Information Systems, Inc., San Leandro, CA."
    },
    {
      "key": "186736_CR15",
      "doi-asserted-by": "crossref",
      "first-page": "537",
      "DOI": "10.1016/0898-5529(90)90156-3",
      "volume": "3",
      "author": "J. Sadowski",
      "year": "1990",
      "unstructured": "Sadowski, J., Rudolph, C. and Gasteiger, J., Tetrahedron Comput. Method., 3 (1990) 537.",
      "journal-title": "Tetrahedron Comput. Method."
    },
    {
      "key": "186736_CR16",
      "first-page": "2137",
      "volume": "31",
      "author": "I.Y. Yan",
      "year": "1988",
      "unstructured": "Yan, I.Y., Slusher, R.M., Broom, A.D., Ueda, T. and Cheng, Y.C., J. Med. Chem., 31 (1988) 2137.",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "186736_CR17",
      "doi-asserted-by": "crossref",
      "first-page": "3889",
      "DOI": "10.1021/jm00049a008",
      "volume": "37",
      "author": "K. Hilpert",
      "year": "1994",
      "unstructured": "Hilpert, K., Ackermann, J., Banner, D.W., Gast, A., Gubernator, K., Hadvary, P., Labler, L., M\u00fcller, K., Schmid, G., Tschopp, T.B. and van de Waterbeemd, H., J. Med. Chem., 37 (1994) 3889.",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "186736_CR18",
      "doi-asserted-by": "crossref",
      "first-page": "214",
      "DOI": "10.1006/prep.1997.0733",
      "volume": "10",
      "author": "G. Russo",
      "year": "1997",
      "unstructured": "Russo, G., Gast, A., Schlaeger, E.J., Angiolillo, A. and Pietropaolo, C., Protein Expr. Purif., 10 (1997) 214.",
      "journal-title": "Protein Expr. Purif."
    },
    {
      "key": "186736_CR19",
      "doi-asserted-by": "crossref",
      "first-page": "795",
      "DOI": "10.1107/S0021889893005588",
      "volume": "26",
      "author": "W. Kabsch",
      "year": "1993",
      "unstructured": "Kabsch, W., J. Appl. Crystallogr., 26 (1993) 795.",
      "journal-title": "J. Appl. Crystallogr."
    },
    {
      "key": "186736_CR20",
      "volume-title": "X-PLOR v3.1 Manual",
      "author": "A. Br\u00fcnger",
      "year": "1992",
      "unstructured": "Br\u00fcnger, A., 1992, X-PLOR v3.1 Manual (Yale University Press, New Haven, CT)."
    },
    {
      "key": "186736_CR21",
      "doi-asserted-by": "crossref",
      "first-page": "20085",
      "DOI": "10.1016/S0021-9258(18)54894-8",
      "volume": "266",
      "author": "D.W. Banner",
      "year": "1991",
      "unstructured": "Banner, D.W. and Hadv\u00e1ry, P., J. Biol. Chem., 266 (1991) 20085.",
      "journal-title": "J. Biol. Chem."
    },
    {
      "key": "186736_CR22",
      "doi-asserted-by": "crossref",
      "first-page": "1565",
      "DOI": "10.1021/jm970140s",
      "volume": "40",
      "author": "T.J. Tucker",
      "year": "1997",
      "unstructured": "Tucker, T.J., Lumma, W.C., Lewis, S.D., Gardell, S.J., Lucas, B.J., Baskin, E.P., Woltmann, R., Lynch, J.J., Lyle, E.A., Appleby, S.D., Chen, I., Dancheck, K.B. and Vacca, J.P., J. Med. Chem., 40 (1997) 1565.",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "186736_CR23",
      "doi-asserted-by": "crossref",
      "first-page": "2280",
      "DOI": "10.1002/anie.199522801",
      "volume": "34",
      "author": "L. Weber",
      "year": "1995",
      "unstructured": "Weber, L., Wallbaum, S., Broger, C. and Gubernator, K., Angew. Chem. Int. Ed. Engl., 34 (1995) 2280.",
      "journal-title": "Angew. Chem. Int. Ed. Engl."
    }
  ],
  "container-title": "Journal of Computer-Aided Molecular Design",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://link.springer.com/content/pdf/10.1023/A:1008040531766.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://link.springer.com/article/10.1023/A:1008040531766/fulltext.html",
      "content-type": "text/html",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://link.springer.com/content/pdf/10.1023/A:1008040531766.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2025,
        6,
        5
      ]
    ],
    "date-time": "2025-06-05T11:26:07Z",
    "timestamp": 1749122767000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://link.springer.com/10.1023/A:1008040531766"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1999,
        1
      ]
    ]
  },
  "references-count": 23,
  "journal-issue": {
    "issue": "1",
    "published-print": {
      "date-parts": [
        [
          1999,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "186736"
  ],
  "URL": "http://dx.doi.org/10.1023/A:1008040531766",
  "relation": {},
  "ISSN": [
    "0920-654X",
    "1573-4951"
  ],
  "subject": [],
  "container-title-short": "J Comput Aided Mol Des",
  "published": {
    "date-parts": [
      [
        1999,
        1
      ]
    ]
  }
}