Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 5' and Ligand = 'BDBM50341793'   

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 (Homo sapiens (Human))	BDBM50341793 ((1S,2R,3R)-1-[(R)-4-(5-Cyanothiophen-2-yl)-3-methy...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@H](C)C1)c1ccc(s1)C#N)C(O)=O |r| Show InChI InChI=1S/C21H24N4O4S2/c1-14-13-24(10-11-25(14)18-9-8-17(12-22)30-18)31(28,29)23-21(20(26)27)15(2)19(21)16-6-4-3-5-7-16/h3-9,14-15,19,23H,10-11,13H2,1-2H3,(H,26,27)/t14-,15-,19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
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