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BDBM50006644 CHEMBL3235517

InChI string: InChI=1S/C18H21NO2/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3

SMILES: COc1cc2CCN(C)C(c3ccccc3)c2cc1OC

InChI Key: InChIKey=RGWXPKHNJZAKID-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50006644   
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-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006644
PNG
(CHEMBL3235517)
Show SMILES COc1cc2CCN(C)C(c3ccccc3)c2cc1OC
Show InChI InChI=1S/C18H21NO2/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006644
PNG
(CHEMBL3235517)
Show SMILES COc1cc2CCN(C)C(c3ccccc3)c2cc1OC
Show InChI InChI=1S/C18H21NO2/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)

More data for this
Ligand-Target Pair