Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P]' and Ligand = 'BDBM28340'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
A disintegrin and metalloproteinase with thrombospondin motifs 5 [262-930,L692P] (Homo sapiens (Human))	BDBM28340 ((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(9H-purin...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnc2cncnc12)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H24ClN5O4S/c30-23-10-6-20(7-11-23)21-8-12-24(13-9-21)40(38,39)35(15-14-34-19-33-26-17-31-18-32-27(26)34)29(28(36)37)16-25(29)22-4-2-1-3-5-22/h1-13,17-19,25H,14-16H2,(H,36,37)/t25-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc.					Assay Description The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...				Bioorg Med Chem Lett 19: 1575-80 (2009) Article DOI: 10.1016/j.bmcl.2009.02.024 BindingDB Entry DOI: 10.7270/Q2PV6HPW
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