BindingDB logo
myBDB logout

BDBM50308051 2-(4-(2-Chloro-4-cyanophenoxy)phenyl)-1H-indole-6-carbonitrile::CHEMBL598621

SMILES: Clc1cc(ccc1Oc1ccc(cc1)-c1cc2ccc(cc2[nH]1)C#N)C#N

InChI Key: InChIKey=AXLZJAMYJPQUDK-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50308051   
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
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM50308051
PNG
(2-(4-(2-Chloro-4-cyanophenoxy)phenyl)-1H-indole-6-...)
Show SMILES Clc1cc(ccc1Oc1ccc(cc1)-c1cc2ccc(cc2[nH]1)C#N)C#N
Show InChI InChI=1S/C22H12ClN3O/c23-19-9-14(12-24)2-8-22(19)27-18-6-4-16(5-7-18)21-11-17-3-1-15(13-25)10-20(17)26-21/h1-11,26H
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Microbiotix Inc

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum toxin BoNT/A light chain by FRET assay


J Med Chem 53: 2264-76 (2010)


Article DOI: 10.1021/jm901852f
BindingDB Entry DOI: 10.7270/Q2HQ40V7
More data for this
Ligand-Target Pair