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BDBM50035316 (8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)-phenyl-methanone::CHEMBL302994

SMILES: CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1

InChI Key: InChIKey=WYHYLXRVYVASMT-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50035316   
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 1A


(Rattus norvegicus (rat))
BDBM50035316
PNG
((8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]ind...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1
Show InChI InChI=1S/C25H30N2O/c1-3-14-27(15-4-2)20-12-10-18-11-13-23-24(21(18)16-20)22(17-26-23)25(28)19-8-6-5-7-9-19/h5-9,11,13,17,20,26H,3-4,10,12,14-16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.60n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50035316
PNG
((8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]ind...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1
Show InChI InChI=1S/C25H30N2O/c1-3-14-27(15-4-2)20-12-10-18-11-13-23-24(21(18)16-20)22(17-26-23)25(28)19-8-6-5-7-9-19/h5-9,11,13,17,20,26H,3-4,10,12,14-16H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
108n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D3 expressed in CHO-K1 cells, using [3H]-spiperone as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50035316
PNG
((8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]ind...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1
Show InChI InChI=1S/C25H30N2O/c1-3-14-27(15-4-2)20-12-10-18-11-13-23-24(21(18)16-20)22(17-26-23)25(28)19-8-6-5-7-9-19/h5-9,11,13,17,20,26H,3-4,10,12,14-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
177n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO-K1 cells, using [3H]-U-86,170 as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair