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BDBM50373352 CHEMBL262343

SMILES: CCCCCCc1ccc(Oc2ccc(NC(=O)C(O)=O)cc2)c(O)c1

InChI Key: InChIKey=AFXKFWYRKGBORO-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50373352   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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...)
BDBM50373352
PNG
(CHEMBL262343)
Show SMILES CCCCCCc1ccc(Oc2ccc(NC(=O)C(O)=O)cc2)c(O)c1
Show InChI InChI=1S/C20H23NO5/c1-2-3-4-5-6-14-7-12-18(17(22)13-14)26-16-10-8-15(9-11-16)21-19(23)20(24)25/h7-13,22H,2-6H2,1H3,(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 1.93E+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