Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50146478'   

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))	BDBM50146478 (CHEMBL98390 | N-Hydroxy-N-{1-(1-isobutyl-piperidin...) Show SMILES CC(C)CN1CCC(CC(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)N(O)C=O)CC1 Show InChI InChI=1S/C30H39N3O5S/c1-22(2)18-32-14-12-24(13-15-32)17-26(33(35)21-34)20-39(36,37)28-10-8-27(9-11-28)38-19-25-16-23(3)31-30-7-5-4-6-29(25)30/h4-11,16,21-22,24,26,35H,12-15,17-20H2,1-3H3	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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-2				Bioorg Med Chem Lett 14: 2897-900 (2004) Article DOI: 10.1016/j.bmcl.2004.03.048 BindingDB Entry DOI: 10.7270/Q27S7N7C
					More data for this Ligand-Target Pair