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BDBM50297306 CHEMBL540982::{2-[3-(4-Fluoro-benzyl)-benzo[b]thiophen-2-yl]-ethyl}-dimethyl-amine

SMILES: CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1

InChI Key: InChIKey=AWYSEPZPTVMKBT-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50297306   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50297306
PNG
(CHEMBL540982 | {2-[3-(4-Fluoro-benzyl)-benzo[b]thi...)
Show SMILES CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
Show InChI InChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3
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KEGG

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PC sid
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Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50297306
PNG
(CHEMBL540982 | {2-[3-(4-Fluoro-benzyl)-benzo[b]thi...)
Show SMILES CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
Show InChI InChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297306
PNG
(CHEMBL540982 | {2-[3-(4-Fluoro-benzyl)-benzo[b]thi...)
Show SMILES CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
Show InChI InChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297306
PNG
(CHEMBL540982 | {2-[3-(4-Fluoro-benzyl)-benzo[b]thi...)
Show SMILES CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
Show InChI InChI=1S/C19H20FNS/c1-21(2)12-11-19-17(13-14-7-9-15(20)10-8-14)16-5-3-4-6-18(16)22-19/h3-10H,11-13H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2D6 in presence of NADPH generating system


J Med Chem 52: 5307-10 (2009)


Article DOI: 10.1021/jm900933k
BindingDB Entry DOI: 10.7270/Q2057G0S
More data for this
Ligand-Target Pair