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BDBM50487234 CHEMBL1391421

SMILES: [O-][N+](=O)\C=C1/NCCN1Cc1ccc(Cl)nc1

InChI Key: InChIKey=ALNDHUQPXHHNON-JXMROGBWSA-N

Data: 4 KI

PDB links: 2 PDB IDs match this monomer.

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 4 hits for monomerid = 50487234   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholine receptor subunit beta-like 2


(Drosophila melanogaster)
BDBM50487234
PNG
(CHEMBL1391421)
Show SMILES [O-][N+](=O)\C=C1/NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7+
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.120n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50487234
PNG
(CHEMBL1391421)
Show SMILES [O-][N+](=O)\C=C1/NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7+
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to salt water mollusc Aplysia californica AChBP Y55W mutant assessed as [3H]acetamiprid binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Gallus gallus)
BDBM50487234
PNG
(CHEMBL1391421)
Show SMILES [O-][N+](=O)\C=C1/NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
60n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Gallus gallus (chicken) alpha4beta2 nicotinic acetylcholine receptor assessed as [3H]NIC binding by radioligand bindi...


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50487234
PNG
(CHEMBL1391421)
Show SMILES [O-][N+](=O)\C=C1/NCCN1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
80n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to freshwater snail Lymnaea stagnalis AChBP assessed as [3H]EPI binding by radioligand binding assay


J Agric Food Chem 59: 2825-8 (2011)


Article DOI: 10.1021/jf1019455
BindingDB Entry DOI: 10.7270/Q2GF0XCJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)