Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50348658'   

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))	BDBM50348658 (CHEMBL1801424) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H23F3N2O5S/c23-22(24,25)15-1-5-17(6-2-15)32-18-7-9-19(10-8-18)33(30,31)21(20(28)26-29)11-13-27(14-12-21)16-3-4-16/h1-2,5-10,16,29H,3-4,11-14H2,(H,26,28)	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay				J Med Chem 53: 6653-80 (2010) Article DOI: 10.1021/jm100669j BindingDB Entry DOI: 10.7270/Q2KH0NQB
					More data for this Ligand-Target Pair