Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rhomboid protease GluP [F193S,L370F,L379S,R499W]' and Ligand = 'BDBM50199883'   

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
Rhomboid protease GluP [F193S,L370F,L379S,R499W] (Bacillus subtilis (Firmicutes))	BDBM50199883 (3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...) Show SMILES Clc1oc(=O)c2ccccc2c1Cl Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	7.4	37
Technische Universität München					Assay Description We selected several inhibitor structures and determined their apparent IC50 by competitive ABPP.				ACS Chem Biol 10: 2325-33 (2015) Article DOI: 10.1021/acschembio.5b00514 BindingDB Entry DOI: 10.7270/Q2668BZ8
					More data for this Ligand-Target Pair