Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50348664'   

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))	BDBM50348664 (CHEMBL1801417) Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C2CC2)C(=O)NO)cc1 Show InChI InChI=1S/C24H30N2O6S/c1-17(2)31-19-5-7-20(8-6-19)32-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)18-3-4-18/h5-12,17-18,28H,3-4,13-16H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair