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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH]' and Ligand = 'BDBM50436716'   
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
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Francisella tularensis subsp. tularensis (strain S...)
BDBM50436716
PNG
(CHEMBL1390649)
Show SMILES O=C(N1CCC(=CC1)c1ccccc1)C(=O)c1c[nH]c2ccccc12 |c:5|
Show InChI InChI=1S/C21H18N2O2/c24-20(18-14-22-19-9-5-4-8-17(18)19)21(25)23-12-10-16(11-13-23)15-6-2-1-3-7-15/h1-10,14,22H,11-13H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Naval Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate ...


J Med Chem 56: 5275-87 (2014)


Article DOI: 10.1021/jm4001242
BindingDB Entry DOI: 10.7270/Q2D79CTG
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Francisella tularensis subsp. tularensis (strain S...)
BDBM50436716
PNG
(CHEMBL1390649)
Show SMILES O=C(N1CCC(=CC1)c1ccccc1)C(=O)c1c[nH]c2ccccc12 |c:5|
Show InChI InChI=1S/C21H18N2O2/c24-20(18-14-22-19-9-5-4-8-17(18)19)21(25)23-12-10-16(11-13-23)15-6-2-1-3-7-15/h1-10,14,22H,11-13H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Naval Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed a...


J Med Chem 56: 5275-87 (2014)


Article DOI: 10.1021/jm4001242
BindingDB Entry DOI: 10.7270/Q2D79CTG
More data for this
Ligand-Target Pair