Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50343086'   

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))	BDBM50343086 (CHEMBL1771221 | N-hydroxy-4-(4-(3-(4-(4-(trifluoro...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cnc(c2)-c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C25H26F3N3O7S/c26-25(27,28)38-20-4-2-18(3-5-20)22-16-31(17-29-22)12-1-13-37-19-6-8-21(9-7-19)39(34,35)24(23(32)30-33)10-14-36-15-11-24/h2-9,16-17,33H,1,10-15H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP-2				Bioorg Med Chem Lett 21: 2820-2 (2011) Article DOI: 10.1016/j.bmcl.2011.03.099 BindingDB Entry DOI: 10.7270/Q2416XCK
					More data for this Ligand-Target Pair