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 = 'BDBM28316'   

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))	BDBM28316 ((1R,2S)-1-({[4-(4-chlorophenyl)-1,2,3,6-tetrahydro...) Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1 |r,c:30| Show InChI InChI=1S/C27H30ClN3O5S/c28-23-10-8-20(9-11-23)21-12-15-30(16-13-21)37(35,36)31(18-17-29-14-4-7-25(29)32)27(26(33)34)19-24(27)22-5-2-1-3-6-22/h1-3,5-6,8-12,24H,4,7,13-19H2,(H,33,34)/t24-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	7.5	37
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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