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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 = 'BDBM50317150'   
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))		BDBM50317150
PNG
(CHEMBL1088356 | N-((S)-6-Amino-1-((S)-1-amino-3-(3...)
Show SMILES Cc1ccc(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c(c1O)[N+]([O-])=O |r|
Show InChI InChI=1S/C23H28ClN5O6/c1-13-8-9-16(19(20(13)30)29(34)35)22(32)27-17(7-2-3-10-25)23(33)28-18(21(26)31)12-14-5-4-6-15(24)11-14/h4-6,8-9,11,17-18,30H,2-3,7,10,12,25H2,1H3,(H2,26,31)(H,27,32)(H,28,33)/t17-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.90E+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