Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50099124'   

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))	BDBM50099124 (1,5-Dimethyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6...) Show SMILES CN1C(=O)NC(=O)C(C)(C1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20(2)16(18)22)12-8-10-14(11-9-12)24-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Inhibition of Gelatinase A, matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 969-72 (2001) BindingDB Entry DOI: 10.7270/Q28G8K00
					More data for this Ligand-Target Pair