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BDBM50035308 8-Dipropylamino-1,3,6,7,8,9-hexahydro-benzo[e]indol-2-one::CHEMBL71091

SMILES: CCCN(CCC)C1CCc2ccc3NC(=O)Cc3c2C1

InChI Key: InChIKey=BWVZSNTTXZIRLY-UHFFFAOYSA-N

Data: 5 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50035308   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50035308
PNG
(8-Dipropylamino-1,3,6,7,8,9-hexahydro-benzo[e]indo...)
Show SMILES CCCN(CCC)C1CCc2ccc3NC(=O)Cc3c2C1
Show InChI InChI=1S/C18H26N2O/c1-3-9-20(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21)19-17/h6,8,14H,3-5,7,9-12H2,1-2H3,(H,19,21)
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PubMed
11n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


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


J Med Chem 38: 2202-16 (1995)


Article DOI: 10.1021/jm00012a021
BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035308
PNG
(8-Dipropylamino-1,3,6,7,8,9-hexahydro-benzo[e]indo...)
Show SMILES CCCN(CCC)C1CCc2ccc3NC(=O)Cc3c2C1
Show InChI InChI=1S/C18H26N2O/c1-3-9-20(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21)19-17/h6,8,14H,3-5,7,9-12H2,1-2H3,(H,19,21)
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14n/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)


Article DOI: 10.1021/jm00012a021
BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50035308
PNG
(8-Dipropylamino-1,3,6,7,8,9-hexahydro-benzo[e]indo...)
Show SMILES CCCN(CCC)C1CCc2ccc3NC(=O)Cc3c2C1
Show InChI InChI=1S/C18H26N2O/c1-3-9-20(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21)19-17/h6,8,14H,3-5,7,9-12H2,1-2H3,(H,19,21)
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23n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


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


J Med Chem 38: 2202-16 (1995)


Article DOI: 10.1021/jm00012a021
BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50035308
PNG
(8-Dipropylamino-1,3,6,7,8,9-hexahydro-benzo[e]indo...)
Show SMILES CCCN(CCC)C1CCc2ccc3NC(=O)Cc3c2C1
Show InChI InChI=1S/C18H26N2O/c1-3-9-20(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21)19-17/h6,8,14H,3-5,7,9-12H2,1-2H3,(H,19,21)
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26n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells, using [3H]-5-HT as the radioligand.


J Med Chem 38: 2202-16 (1995)


Article DOI: 10.1021/jm00012a021
BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50035308
PNG
(8-Dipropylamino-1,3,6,7,8,9-hexahydro-benzo[e]indo...)
Show SMILES CCCN(CCC)C1CCc2ccc3NC(=O)Cc3c2C1
Show InChI InChI=1S/C18H26N2O/c1-3-9-20(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21)19-17/h6,8,14H,3-5,7,9-12H2,1-2H3,(H,19,21)
PDB

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PubMed
194n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor beta expressed in CHO-K1 cells, using [3H]-5-HT as the radioligand.


J Med Chem 38: 2202-16 (1995)


Article DOI: 10.1021/jm00012a021
BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair