Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50088120'   

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))	BDBM50088120 (2-[3-Benzoyl-1-(4-nitro-benzyl)-thioureido]-N-hydr...) Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C17H16N4O5S/c22-15(19-24)11-20(10-12-6-8-14(9-7-12)21(25)26)17(27)18-16(23)13-4-2-1-3-5-13/h1-9,24H,10-11H2,(H,19,22)(H,18,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against the Matrix Metalloprotease 2 (MMP-2)				J Med Chem 43: 1858-65 (2000) BindingDB Entry DOI: 10.7270/Q2ZW1K4G
					More data for this Ligand-Target Pair