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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isochorismate synthase EntC' and Ligand = 'BDBM50317145'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Isochorismate synthase EntC


(Escherichia coli (strain K12))		BDBM50317145
PNG
(2-(3-((S)-5-((S)-1-amino-3-(4-cyanophenyl)-1-oxopr...)
Show SMILES Cc1ccc(C(=O)N[C@@H](CCCNC(=O)c2cccc(OCC(O)=O)c2)C(=O)N[C@@H](Cc2ccc(cc2)C#N)C(N)=O)c(c1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C32H32N6O10/c1-18-7-12-23(27(28(18)41)38(46)47)31(44)36-24(32(45)37-25(29(34)42)14-19-8-10-20(16-33)11-9-19)6-3-13-35-30(43)21-4-2-5-22(15-21)48-17-26(39)40/h2,4-5,7-12,15,24-25,41H,3,6,13-14,17H2,1H3,(H2,34,42)(H,35,43)(H,36,44)(H,37,45)(H,39,40)/t24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.60E+5n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair