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BDBM50095041 CHEMBL328595::Ethyl-{2-[2-(3-fluoro-phenyl)-1H-indol-3-yl]-ethyl}-methyl-amine

SMILES: CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(F)c1

InChI Key: InChIKey=VCCRNQWQVWFKOO-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 = 50095041   
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))
BDBM50095041
PNG
(CHEMBL328595 | Ethyl-{2-[2-(3-fluoro-phenyl)-1H-in...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(F)c1
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)12-11-17-16-9-4-5-10-18(16)21-19(17)14-7-6-8-15(20)13-14/h4-10,13,21H,3,11-12H2,1-2H3
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KEGG

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CHEMBL
PC cid
PC sid
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PubMed
0.0800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacent of [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50095041
PNG
(CHEMBL328595 | Ethyl-{2-[2-(3-fluoro-phenyl)-1H-in...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(F)c1
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)12-11-17-16-9-4-5-10-18(16)21-19(17)14-7-6-8-15(20)13-14/h4-10,13,21H,3,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
8.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [H]-mesulergine from CHO cells expressing human 5-hydroxytryptamine 2C receptor.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095041
PNG
(CHEMBL328595 | Ethyl-{2-[2-(3-fluoro-phenyl)-1H-in...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1cccc(F)c1
Show InChI InChI=1S/C19H21FN2/c1-3-22(2)12-11-17-16-9-4-5-10-18(16)21-19(17)14-7-6-8-15(20)13-14/h4-10,13,21H,3,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
68n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from CHO cells expressing human Dopamine receptor D2.


Bioorg Med Chem Lett 10: 2697-9 (2000)


BindingDB Entry DOI: 10.7270/Q27943XR
More data for this
Ligand-Target Pair