Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50290161'   

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))	BDBM50290161 (3-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethy...) Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)C(CCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C22H29N3O6S/c1-23-22(27)20(14-17-8-11-18(31-2)12-9-17)25-32(29,30)19(15-21(26)24-28)13-10-16-6-4-3-5-7-16/h3-9,11-12,19-20,25,28H,10,13-15H2,1-2H3,(H,23,27)(H,24,26)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-2 (MMP-2)				Bioorg Med Chem Lett 7: 2331-2336 (1997) Article DOI: 10.1016/S0960-894X(97)00182-0 BindingDB Entry DOI: 10.7270/Q2TH8MQ4
					More data for this Ligand-Target Pair