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BDBM50095034 4-{3-[2-(Ethyl-methyl-amino)-ethyl]-1H-indol-2-yl}-benzonitrile::CHEMBL91542

SMILES: CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N

InChI Key: InChIKey=PNXAJQBRLDGPQZ-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 = 50095034   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50095034
PNG
(4-{3-[2-(Ethyl-methyl-amino)-ethyl]-1H-indol-2-yl}...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21N3/c1-3-23(2)13-12-18-17-6-4-5-7-19(17)22-20(18)16-10-8-15(14-21)9-11-16/h4-11,22H,3,12-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.420n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50095034
PNG
(4-{3-[2-(Ethyl-methyl-amino)-ethyl]-1H-indol-2-yl}...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21N3/c1-3-23(2)13-12-18-17-6-4-5-7-19(17)22-20(18)16-10-8-15(14-21)9-11-16/h4-11,22H,3,12-13H2,1-2H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.60n/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))
BDBM50095034
PNG
(4-{3-[2-(Ethyl-methyl-amino)-ethyl]-1H-indol-2-yl}...)
Show SMILES CCN(C)CCc1c([nH]c2ccccc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H21N3/c1-3-23(2)13-12-18-17-6-4-5-7-19(17)22-20(18)16-10-8-15(14-21)9-11-16/h4-11,22H,3,12-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
160n/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