Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50267879'   

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))	BDBM50267879 ((R)-5-Oxo-5-(thiazol-2-ylamino)-4-(3,4,5-trimethox...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@H](CCC(O)=O)C(=O)Nc1nccs1 |r| Show InChI InChI=1S/C18H21N3O7S/c1-26-12-8-10(9-13(27-2)15(12)28-3)16(24)20-11(4-5-14(22)23)17(25)21-18-19-6-7-29-18/h6-9,11H,4-5H2,1-3H3,(H,20,24)(H,22,23)(H,19,21,25)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 by spectrophotometry				Bioorg Med Chem 17: 3053-60 (2009) Article DOI: 10.1016/j.bmc.2009.02.063 BindingDB Entry DOI: 10.7270/Q2NP25BQ
					More data for this Ligand-Target Pair