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BDBM50373337 CHEMBL405655

SMILES: CCCCCCc1ccc(Oc2cccnc2)c(O)c1

InChI Key: InChIKey=MMFBADBXBVJXTO-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50373337   
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...)
BDBM50373337
PNG
(CHEMBL405655)
Show SMILES CCCCCCc1ccc(Oc2cccnc2)c(O)c1
Show InChI InChI=1S/C17H21NO2/c1-2-3-4-5-7-14-9-10-17(16(19)12-14)20-15-8-6-11-18-13-15/h6,8-13,19H,2-5,7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 236n/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