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SMILES: C[C@@H]1CC2NCC3C1C2Cn1c3cccc1=O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50548703   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50548703
PNG
(CHEMBL4793576)
Show SMILES C[C@@H]1CC2NCC3C1C2Cn1c3cccc1=O |r,TLB:1:7:9.10.11:3.4.5,THB:0:1:8:6.4.5,9:8:2.1:6.4.5,11:6:2.1:8|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR by Cheng-Prusoff equation analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115820
BindingDB Entry DOI: 10.7270/Q2WW7N96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50548703
PNG
(CHEMBL4793576)
Show SMILES C[C@@H]1CC2NCC3C1C2Cn1c3cccc1=O |r,TLB:1:7:9.10.11:3.4.5,THB:0:1:8:6.4.5,9:8:2.1:6.4.5,11:6:2.1:8|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR by radioligand competition analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115820
BindingDB Entry DOI: 10.7270/Q2WW7N96
More data for this
Ligand-Target Pair