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BDBM50006646 CHEMBL3235519

InChI string: InChI=1S/C20H25NO4/c1-21-9-8-13-10-18(24-4)19(25-5)12-15(13)20(21)14-6-7-16(22-2)17(11-14)23-3/h6-7,10-12,20H,8-9H2,1-5H3

SMILES: COc1ccc(cc1OC)C1N(C)CCc2cc(OC)c(OC)cc12

InChI Key: InChIKey=KYWZIVDVIANHDJ-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 = 50006646   
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))
BDBM50006646
PNG
(CHEMBL3235519)
Show SMILES COc1ccc(cc1OC)C1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C20H25NO4/c1-21-9-8-13-10-18(24-4)19(25-5)12-15(13)20(21)14-6-7-16(22-2)17(11-14)23-3/h6-7,10-12,20H,8-9H2,1-5H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
>3.00E+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)
BDBM50006646
PNG
(CHEMBL3235519)
Show SMILES COc1ccc(cc1OC)C1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C20H25NO4/c1-21-9-8-13-10-18(24-4)19(25-5)12-15(13)20(21)14-6-7-16(22-2)17(11-14)23-3/h6-7,10-12,20H,8-9H2,1-5H3
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