Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127863'   

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))	BDBM50127863 ((R)-2-[(4-methylphenyl)sulfonyl]Hydrazinocarbonylm...) Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C27H35N5O5S/c1-17(2)13-19(15-25(33)31-32-38(36,37)21-11-9-18(3)10-12-21)26(34)30-24(27(35)28-4)14-20-16-29-23-8-6-5-7-22(20)23/h5-12,16-17,19,24,29,32H,13-15H2,1-4H3,(H,28,35)(H,30,34)(H,31,33)/t19-,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-2				Bioorg Med Chem Lett 13: 1783-6 (2003) BindingDB Entry DOI: 10.7270/Q2WH2PCT
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