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BDBM50142624 CHEMBL3759403

InChI string: InChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7H,4-5,8-9H2

SMILES: C1CCC(=NC1)c1ccccc1

InChI Key: InChIKey=XEJFZEYFXUTFPM-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50142624   
Target
(Institution)
LigandTarget
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
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(HUMAN-Homo sapiens)
BDBM50142624
PNG
(CHEMBL3759403)
Show SMILES C1CCC(=NC1)c1ccccc1
Show InChI InChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7H,4-5,8-9H2
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
194n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50142624
PNG
(CHEMBL3759403)
Show SMILES C1CCC(=NC1)c1ccccc1
Show InChI InChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7H,4-5,8-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
2.08E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from rat alpha4beta2 nACh receptor expressed in rat cortical membrane preincubated for 30 mins followed by radioliga...


Eur J Med Chem 108: 392-405 (2016)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50142624
PNG
(CHEMBL3759403)
Show SMILES C1CCC(=NC1)c1ccccc1
Show InChI InChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7H,4-5,8-9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I] alpha bungarotoxin from rat alpha7 nACh receptor expressed in rat hippocampal membrane preincubated for 30 mins followed by ra...


Eur J Med Chem 108: 392-405 (2016)

More data for this
Ligand-Target Pair