Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127458'   

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))	BDBM50127458 (CHEMBL300394 | N-Hydroxy-2-(7-methoxy-1,1-dioxo-1,...) Show SMILES COc1ccc2c(NCCN([C@H](C(C)C)C(=O)NO)S2(=O)=O)c1 Show InChI InChI=1S/C14H21N3O5S/c1-9(2)13(14(18)16-19)17-7-6-15-11-8-10(22-3)4-5-12(11)23(17,20)21/h4-5,8-9,13,15,19H,6-7H2,1-3H3,(H,16,18)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
					More data for this Ligand-Target Pair