Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50076370'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50076370 ((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...) Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C14H17N5O2S2/c1-19(2)11(20)10(8-9-6-4-3-5-7-9)15-12(21)16-13-17-18-14(22)23-13/h3-7,10H,8H2,1-2H3,(H,18,22)(H2,15,16,17,21)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)				J Med Chem 47: 3065-74 (2004) Article DOI: 10.1021/jm030570k BindingDB Entry DOI: 10.7270/Q26M368W
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