Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50227730'   

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))	BDBM50227730 (CHEMBL398640 | N-hydroxy-2-[4-(2-methyl-3'-trifluo...) Show SMILES Cc1cc(ccc1-c1cccc(OC(F)(F)F)c1)C1=CCN(CC1)S(=O)(=O)CC(=O)NO |t:20| Show InChI InChI=1S/C21H21F3N2O5S/c1-14-11-16(15-7-9-26(10-8-15)32(29,30)13-20(27)25-28)5-6-19(14)17-3-2-4-18(12-17)31-21(22,23)24/h2-7,11-12,28H,8-10,13H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 6750-3 (2008) Article DOI: 10.1016/j.bmcl.2007.10.042 BindingDB Entry DOI: 10.7270/Q20K289K
					More data for this Ligand-Target Pair