Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50097270'   

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))	BDBM50097270 ((R)-2-(3-Biphenyl-4-yl-propyl)-N*1*-[(S)-2,2-dimet...) Show SMILES C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(cc1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1 Show InChI InChI=1S/C33H41N3O4/c1-23(25-13-7-5-8-14-25)34-32(39)30(33(2,3)4)35-31(38)28(22-29(37)36-40)17-11-12-24-18-20-27(21-19-24)26-15-9-6-10-16-26/h5-10,13-16,18-21,23,28,30,40H,11-12,17,22H2,1-4H3,(H,34,39)(H,35,38)(H,36,37)/t23-,28-,30-/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	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required to inhibit the catalytic domain Matrix metalloprotease-2 using Nagase fluorogenic as a substrate.				Bioorg Med Chem Lett 11: 571-4 (2001) BindingDB Entry DOI: 10.7270/Q22B8X9X
					More data for this Ligand-Target Pair