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Volumn 910, Issue , 2012, Pages 145-164

Mapping between databases of compounds and protein targets

Author keywords

Bioactive compounds; Bioinformatics; ChEMBL; Chemical structure identifiers; Cheminformatics; Drug targets; DrugBank; Human Metabolome Database; Small molecule databases; Therapeutic Target Database

Indexed keywords

ARTICLE; BIOLOGY; CHEMICAL DATABASE; HUMAN; MOLECULARLY TARGETED THERAPY; PROTEIN DATABASE; STRUCTURE ACTIVITY RELATION;

EID: 84864856455     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-61779-965-5_8     Document Type: Article
Times cited : (22)

References (31)
  • 1
    • 84883599292 scopus 로고    scopus 로고
    • Chemical Structure Lookup Service (CSLS) . Accessed 27 Oct 2010
    • Chemical Structure Lookup Service (CSLS). http://cactus.nci.nih.gov/ lookup . Accessed 27 Oct 2010
  • 2
    • 75849153303 scopus 로고    scopus 로고
    • The universal protein resource (UniProt) in 2010
    • The UniProt Consortium.
    • The UniProt Consortium (2010) The universal protein resource (UniProt) in 2010. Nucleic Acids Res 38:D142-D148
    • (2010) Nucleic Acids Res , vol.38
  • 3
    • 74049098222 scopus 로고    scopus 로고
    • Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds
    • doi: 10.1186/1758-2946-1-10
    • Southan C, Varkonyi P, Muresan S (2009) Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds. J Cheminfo. http://www.jcheminf.com/content/1/1/10 . doi: 10.1186/1758-2946-1-10
    • (2009) J Cheminfo
    • Southan, C.1    Varkonyi, P.2    Muresan, S.3
  • 4
    • 84883601044 scopus 로고    scopus 로고
    • Accessed 19 Sept 2010
    • ChEMBL. http://www.ebi.ac.uk/chembl . Accessed 19 Sept 2010
  • 6
    • 58149202163 scopus 로고    scopus 로고
    • HMDB: A knowledgebase for the human metabolome
    • Wishart DS, Knox C, Guo AC et al (2009) HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res 37:D603-D610
    • (2009) Nucleic Acids Res , vol.37
    • Wishart, D.S.1    Knox, C.2    Guo, A.C.3
  • 7
    • 75549090848 scopus 로고    scopus 로고
    • Update of TTD: Therapeutic target database
    • Zhu F, Han B, Kumar P et al (2010) Update of TTD: therapeutic target database. Nucleic Acids Res 38:D787-D791
    • (2010) Nucleic Acids Res , vol.38
    • Zhu, F.1    Han, B.2    Kumar, P.3
  • 8
    • 84883597710 scopus 로고    scopus 로고
    • The Protein Identi fi er Cross-Reference Service. Accessed 27 Oct 2010
    • The Protein Identi fi er Cross-Reference Service. http://www.ebi.ac.uk/ Tools/picr/init.do . Accessed 27 Oct 2010
  • 9
    • 84883597920 scopus 로고    scopus 로고
    • The IUPAC International Chemical Identi fi er (Version 1.03) . Accessed 27 Oct 2010.
    • The IUPAC International Chemical Identi fi er (Version 1.03). http://www.iupac.org/inchi/release103.html . Accessed 27 Oct 2010.
  • 10
    • 84883600638 scopus 로고    scopus 로고
    • NCI/CADD Chemical Identi fi er Resolver. Accessed 27 Oct 2010
    • NCI/CADD Chemical Identi fi er Resolver. http://cactus.nci.nih.gov/ chemical/structure . Accessed 27 Oct 2010.
  • 12
    • 75549092202 scopus 로고    scopus 로고
    • Chemical entities of biological interest: An update
    • de Matos P, Alcántara R, Dekker A et al (2010) Chemical entities of biological interest: an update. Nucleic Acids Res 38: D249-D254.
    • (2010) Nucleic Acids Res , vol.38
    • De Matos, P.1    Alcántara, R.2    Dekker, A.3
  • 13
    • 0023965741 scopus 로고
    • Smiles, a chemical language and information system. I. Introduction to methodology and encoding rules
    • Weininger D (1988) SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. J Chem Inf Comput Sci 28:31-36. (Pubitemid 18574254)
    • (1988) Journal of Chemical Information and Computer Sciences , vol.28 , Issue.1 , pp. 31-36
    • Weininger, D.1
  • 14
    • 84883597995 scopus 로고    scopus 로고
    • Daylight Chemical Information Systems Inc. Accessed 27 Oct 2010.
    • Daylight Chemical Information Systems Inc. http://www.daylight.com . Accessed 27 Oct 2010.
  • 15
    • 0001708959 scopus 로고
    • Description of several chemical structure fi le formats used by computer programs developed at Molecular Design Limited
    • Dalby A, Nourse JG, Hounshell WD et al (1992) Description of several chemical structure fi le formats used by computer programs developed at Molecular Design Limited. J Chem Inf Comput Sci 32:244-255.
    • (1992) J Chem Inf Comput Sci , vol.32 , pp. 244-255
    • Dalby, A.1    Nourse, J.G.2    Hounshell, W.D.3
  • 16
    • 84883598328 scopus 로고    scopus 로고
    • CT fi le Formats . Accessed 27 Oct 2010.
    • CT fi le Formats. http://www.symyx.com/downloads/public/ctfile/ct fi le.jsp . Accessed 27 Oct 2010.
  • 18
    • 84986533812 scopus 로고
    • Hash codes for the identi fi cation and classi fi cation of molecular structure elements
    • Ihlenfeldt WD, Gasteiger J (1994) Hash codes for the identi fi cation and classi fi cation of molecular structure elements. J Comput Chem 15:793-813.
    • (1994) J Comput Chem , vol.15 , pp. 793-813
    • Ihlenfeldt, W.D.1    Gasteiger, J.2
  • 19
    • 84883597932 scopus 로고    scopus 로고
    • InChI TRUST-History of InChI. Accessed 10 Sept 2010
    • InChI TRUST-History of InChI. http://www.inchi-trust.org/index.php?q= node/2 . Accessed 10 Sept 2010.
  • 20
    • 84883597885 scopus 로고    scopus 로고
    • Accessed 10 Sept 2010
    • CAS Registry Numbers. http://www.cas.org/index.html . Accessed 10 Sept 2010.
  • 21
    • 84883597537 scopus 로고    scopus 로고
    • Accessed 10 Oct 2010
    • ChemSpider. http://www.chemspider.com . Accessed 10 Oct 2010.
  • 22
    • 78649633211 scopus 로고    scopus 로고
    • PubChem as a public resource for drug discovery
    • Li Q, Cheng T, Wang Y et al (2010) PubChem as a public resource for drug discovery. Drug Discov Today 15:1052-1057.
    • (2010) Drug Discov Today , vol.15 , pp. 1052-1057
    • Li, Q.1    Cheng, T.2    Wang, Y.3
  • 23
    • 40249098693 scopus 로고    scopus 로고
    • Internet resources integrating many small-molecule databases
    • DOI 10.1080/10629360701843540, PII 791092228
    • Sitzmann M, Filippov IV, Nicklaus MC (2008) Internet resources integrating many small-molecule databases. SAR QSAR Environ Res 19:1-9. (Pubitemid 351333410)
    • (2008) SAR and QSAR in Environmental Research , vol.19 , Issue.1-2 , pp. 1-9
    • Sitzmann, M.1    Filippov, I.V.2    Nicklaus, M.C.3
  • 24
    • 0028336046 scopus 로고
    • Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility
    • Ihlenfeldt WD, Takahashi Y, Abe H et al (1994) Computation and management of chemical properties in CACTVS: an extensible networked approach toward modularity and compatibility. J Chem Inf Comput Sci 34:109-116.
    • (1994) J Chem Inf Comput Sci , vol.34 , pp. 109-116
    • Ihlenfeldt, W.D.1    Takahashi, Y.2    Abe, H.3
  • 25
    • 84883598581 scopus 로고    scopus 로고
    • Accessed 10 Oct 2010
    • Xemistry GmbH. http://xemistry.com . Accessed 10 Oct 2010.
  • 26
    • 84883600410 scopus 로고    scopus 로고
    • ChemNavigator-iResearch Library . Accessed 10 Oct 2010.
    • ChemNavigator-iResearch Library. http://www.chemnavigator.com/cnc/ products/iRL. asp . Accessed 10 Oct 2010.
  • 27
    • 84883598070 scopus 로고    scopus 로고
    • PubChem Substance Set. Accessed 10 Oct 2010
    • PubChem Substance Set. ftp://ftp.ncbi.nlm.nih.gov/pubchem/Substance/ CURRENTFull . Accessed 10 Oct 2010.
  • 28
    • 13844312649 scopus 로고    scopus 로고
    • ZINC - A free database of commercially available compounds for virtual screening
    • DOI 10.1021/ci049714+
    • Irwin JJ, Shoichet BK (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
  • 29
    • 84883597150 scopus 로고    scopus 로고
    • Accessed 8 Sept 2010
    • eMolecules. http://www.emolecules.com . Accessed 8 Sept 2010.
  • 31
    • 33947380146 scopus 로고    scopus 로고
    • Mass spectrometric characterization of the affinity-purified human 26S proteasome complex
    • DOI 10.1021/bi061994u
    • Wang X, Chen C-F, Baker PR et al (2007) Mass spectrometric characterization of the af fi nity-puri fi ed human 26S proteasome complex. Biochemistry 46:3553-3565 (Pubitemid 46449172)
    • (2007) Biochemistry , vol.46 , Issue.11 , pp. 3553-3565
    • Wang, X.1    Chen, C.-F.2    Baker, P.R.3    Chen, P.-L.4    Kaiser, P.5    Huang, L.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.