Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50321118'   

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
Thermolysin (Bacillus thermoproteolyticus)	BDBM50321118 (3-({(1E)-[4-(Dimethylamino)phenyl]methylene}amino)...) Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3ccccc3C2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H22N4O/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28/h3-16,22,25H,1-2H3/b24-16+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa				Bioorg Med Chem 18: 4317-27 (2010) Article DOI: 10.1016/j.bmc.2010.04.083 BindingDB Entry DOI: 10.7270/Q2QV3MP9
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50321118 (3-({(1E)-[4-(Dimethylamino)phenyl]methylene}amino)...) Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3ccccc3C2=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H22N4O/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28/h3-16,22,25H,1-2H3/b24-16+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.1 M substrate FaGLa				Bioorg Med Chem 18: 4317-27 (2010) Article DOI: 10.1016/j.bmc.2010.04.083 BindingDB Entry DOI: 10.7270/Q2QV3MP9
					More data for this Ligand-Target Pair