Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50166261'   

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))	BDBM50166261 (3-(4-{5-[4-(4-Bromo-phenoxy)-phenyl]-2,4,6-trioxo-...) Show SMILES OC(=O)CCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C23H23BrN4O6/c24-16-3-7-18(8-4-16)34-17-5-1-15(2-6-17)23(20(31)25-22(33)26-21(23)32)28-13-11-27(12-14-28)10-9-19(29)30/h1-8H,9-14H2,(H,29,30)(H2,25,26,31,32,33)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t Curated by ChEMBL					Assay Description In vitro inhibition of human Matrix metalloprotease 2				J Med Chem 48: 3400-9 (2005) Article DOI: 10.1021/jm049145x BindingDB Entry DOI: 10.7270/Q2NS0VPR
					More data for this Ligand-Target Pair