BindingDB logo
myBDB logout

null

SMILES: ONC(=O)\C=C\c1ccc(cc1Cl)-c1cn[nH]c1

InChI Key: InChIKey=DDRCELPTJMLEJV-ONEGZZNKSA-N

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 = 50383526   
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)		BDBM50383526
PNG
(CHEMBL2032397)
Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1cn[nH]c1
Show InChI InChI=1S/C12H10ClN3O2/c13-11-5-9(10-6-14-15-7-10)2-1-8(11)3-4-12(17)16-18/h1-7,18H,(H,14,15)(H,16,17)/b4-3+
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.62E+4n/an/an/an/an/an/a



Fox Chase Chemical Diversity Center

Curated by ChEMBL


Assay Description
Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis

Bioorg Med Chem Lett 22: 3754-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.019
BindingDB Entry DOI: 10.7270/Q21C1XWX
More data for this
Ligand-Target Pair