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Volumn 39, Issue 5, 2011, Pages 1365-1370

Collation and data-mining of \literature bioactivity data for drug discovery

Author keywords

Bioactivity data; ChEMBL; Data mining; Drug discovery; Structure activity relationship (SAR)

Indexed keywords

ANTIHYPERTENSIVE AGENT; ANTINEOPLASTIC AGENT; CHEMBL 1018316; G PROTEIN COUPLED RECEPTOR; IMATINIB; PROTEIN; PROTEIN KINASE INHIBITOR; UNCLASSIFIED DRUG;

EID: 80053361809     PISSN: 03005127     EISSN: 14708752     Source Type: Journal    
DOI: 10.1042/BST0391365     Document Type: Conference Paper
Times cited : (31)

References (36)
  • 3
    • 13844312649 scopus 로고    scopus 로고
    • ZINC - A free database of commercially available compounds for virtual screening
    • DOI 10.1021/ci049714+
    • Irwin, J.J. and Shoichet, B.K. (2005) ZINC: a free database of commercially available compounds for virtual screening. J. Chem. Inf. Model. 45, 177-182 (Pubitemid 40736970)
    • (2005) Journal of Chemical Information and Modeling , vol.45 , Issue.1 , pp. 177-182
    • Irwin, J.J.1    Shoichet, B.K.2
  • 7
    • 75549090213 scopus 로고    scopus 로고
    • KEGG for representation and analysis of molecular networks involving diseases and drugs
    • Kanehisa, M., Goto, S., Furumichi, M., Tanabe, M. and Hirakawa, M. (2009) KEGG for representation and analysis of molecular networks involving diseases and drugs. Nucleic Acids Res. 38, D355-D360
    • (2009) Nucleic Acids Res. , vol.38
    • Kanehisa, M.1    Goto, S.2    Furumichi, M.3    Tanabe, M.4    Hirakawa, M.5
  • 8
    • 13544251502 scopus 로고    scopus 로고
    • The case for open-source software in drug discovery
    • DeLano, W.L. (2005) The case for open-source software in drug discovery. Drug Discovery Today 10, 213-217
    • (2005) Drug Discovery Today , vol.10 , pp. 213-217
    • DeLano, W.L.1
  • 9
    • 77953642333 scopus 로고    scopus 로고
    • Role of open chemical data in aiding drug discovery and design
    • Gaulton, A. and Overington, J.P. (2010) Role of open chemical data in aiding drug discovery and design. Future Med. Chem. 2, 903-907
    • (2010) Future Med. Chem. , vol.2 , pp. 903-907
    • Gaulton, A.1    Overington, J.P.2
  • 12
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • DOI 10.1016/S0169-409X(00)00129-0, PII S0169409X00001290
    • Lipinski, C.A., Lombardo, F., Dominy, B.W. and Feeney, P.J. (2001) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 46, 3-26 (Pubitemid 33653411)
    • (2000) Advanced Drug Delivery Reviews , vol.46 , Issue.1-3 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 13
    • 0023191072 scopus 로고
    • Identification of a family of muscarinic acetylcholine receptor genes
    • Bonner, T.I., Buckley, N.J., Young, A.C. and Brann, M.R. (1987) Identification of a family of muscarinic acetylcholine receptor genes. Science 237, 527-532 (Pubitemid 17125922)
    • (1987) Science , vol.237 , Issue.4814 , pp. 527-532
    • Bonner, T.I.1    Buckley, N.J.2    Young, A.C.3    Brann, M.R.4
  • 14
    • 0023040350 scopus 로고
    • Cloning, sequencing and expression of complementary DNA encoding the muscarinic acetylcholine receptor
    • Kubo, T., Fukuda, K., Mikami, A., Maeda, A., Takahashi, H., Mishina, M., Haga, T., Haga, K., Ichiyama, A. and Kangawa, K. (1986) Cloning, sequencing and expression of complementary DNA encoding the muscarinic acetylcholine receptor. Nature 323, 411-416 (Pubitemid 16026268)
    • (1986) Nature , vol.323 , Issue.6087 , pp. 411-416
    • Kubo, T.1    Fukuda, K.2    Mikami, A.3
  • 15
    • 0024039146 scopus 로고
    • Cloning and expression of the human and rat m5 muscarinic acetylcholine receptor genes
    • Bonner, T.I., Young, A.C., Brann, M.R. and Buckley, N.J. (1988) Cloning and expression of the human and rat m5 muscarinic acetylcholine receptor genes. Neuron 1, 403-410
    • (1988) Neuron , vol.1 , pp. 403-410
    • Bonner, T.I.1    Young, A.C.2    Brann, M.R.3    Buckley, N.J.4
  • 21
    • 0037032835 scopus 로고    scopus 로고
    • The protein kinase complement of the human genome
    • DOI 10.1126/science.1075762
    • Manning, G., Whyte, D.B., Martinez, R., Hunter, T. and Sudarsanam, S. (2002) The protein kinase complement of the human genome. Science 298, 1912-1934 (Pubitemid 35425239)
    • (2002) Science , vol.298 , Issue.5600 , pp. 1912-1934
    • Manning, G.1    Whyte, D.B.2    Martinez, R.3    Hunter, T.4    Sudarsanam, S.5
  • 33
    • 79952171625 scopus 로고    scopus 로고
    • Probing the links between in vitro potency, ADMET and physicochemical parameters
    • Gleeson, M.P., Hersey, A., Montanari, D. and Overington, J.P. (2011) Probing the links between in vitro potency, ADMET and physicochemical parameters. Nat. Rev. Drug Discovery 10, 197-208
    • (2011) Nat. Rev. Drug Discovery , vol.10 , pp. 197-208
    • Gleeson, M.P.1    Hersey, A.2    Montanari, D.3    Overington, J.P.4
  • 34
    • 35748934487 scopus 로고    scopus 로고
    • The influence of drug-like concepts on decision-making in medicinal chemistry
    • DOI 10.1038/nrd2445, PII NRD2445
    • Leeson, P.D. and Springthorpe, B. (2007) The influence of drug-like concepts on decision-making in medicinal chemistry. Nat. Rev. Drug Discovery 6, 881-890 (Pubitemid 350042396)
    • (2007) Nature Reviews Drug Discovery , vol.6 , Issue.11 , pp. 881-890
    • Leeson, P.D.1    Springthorpe, B.2
  • 35
    • 1942453243 scopus 로고    scopus 로고
    • Ligand efficiency: A useful metric for lead selection
    • DOI 10.1016/S1359-6446(04)03069-7, PII S1359644604030697
    • Hopkins, A.L., Groom, C.R. and Alex, A. (2004) Ligand efficiency: a useful metric for lead selection. Drug. Discovery Today 9, 430-431 (Pubitemid 38510559)
    • (2004) Drug Discovery Today , vol.9 , Issue.10 , pp. 430-431
    • Hopkins, A.L.1    Groom, C.R.2    Alex, A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.