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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-ACP Reductase (InhA)' and Ligand = 'BDBM50373344'   
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-ACP Reductase (InhA)


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50373344
PNG
(CHEMBL407324)
Show SMILES CCCCCCc1ccc(Oc2ccccc2NC(=O)C(O)=O)c(O)c1
Show InChI InChI=1S/C20H23NO5/c1-2-3-4-5-8-14-11-12-18(16(22)13-14)26-17-10-7-6-9-15(17)21-19(23)20(24)25/h6-7,9-13,22H,2-5,8H2,1H3,(H,21,23)(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.36E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 nM Mycobacterium tuberculosis H37RV InhA


Bioorg Med Chem Lett 18: 3029-33 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.038
BindingDB Entry DOI: 10.7270/Q2SB46KT
More data for this
Ligand-Target Pair