Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50131952'   

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))	BDBM50131952 (2-(Biphenyl-4-ylmethylsulfanyl)-5-(1,3-dioxo-1,3-d...) Show SMILES OC(=O)[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1SCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H25NO4S/c30-26-22-8-4-5-9-23(22)27(31)29(26)16-21-14-15-24(25(21)28(32)33)34-17-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-13,21,24-25H,14-17H2,(H,32,33)/t21-,24-,25-/m0/s1	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-2 (MMP2)				J Med Chem 46: 3840-52 (2003) Article DOI: 10.1021/jm0307638 BindingDB Entry DOI: 10.7270/Q2CC11FF
					More data for this Ligand-Target Pair