Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50320433'   

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))	BDBM50320433 (4-(4-(4-(4-(2-fluorophenyl)piperazine-1-carbonyl)p...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1F Show InChI InChI=1S/C28H35FN4O6S/c29-24-3-1-2-4-25(24)32-15-17-33(18-16-32)26(34)21-9-13-31(14-10-21)22-5-7-23(8-6-22)40(37,38)28(27(35)30-36)11-19-39-20-12-28/h1-8,21,36H,9-20H2,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Research& Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 20: 3561-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.111 BindingDB Entry DOI: 10.7270/Q28052S4
					More data for this Ligand-Target Pair