Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isochorismate synthase EntC' and Ligand = 'BDBM50317143'   

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
Isochorismate synthase EntC (Escherichia coli (strain K12))	BDBM50317143 ((S)-2-(3-(5-(1-carbamoylcyclohexylamino)-4-(3,5-di...) Show SMILES NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)NC(=O)c1cc(O)cc(O)c1 |r| Show InChI InChI=1S/C28H34N4O9/c29-27(40)28(9-2-1-3-10-28)32-26(39)22(31-25(38)18-12-19(33)15-20(34)13-18)8-5-11-30-24(37)17-6-4-7-21(14-17)41-16-23(35)36/h4,6-7,12-15,22,33-34H,1-3,5,8-11,16H2,(H2,29,40)(H,30,37)(H,31,38)(H,32,39)(H,35,36)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Escherichia coli K12 IS expressed in Escherichia coli BL21(DE3) by spectrophotometry				J Med Chem 53: 3718-29 (2010) Article DOI: 10.1021/jm100158v BindingDB Entry DOI: 10.7270/Q25T3KN4
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