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BDBM50035305 (S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde::CHEMBL307786

SMILES: CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1

InChI Key: InChIKey=DSEPKSLFXGYPIU-INIZCTEOSA-N

Data: 10 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 10 hits for monomerid = 50035305   
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))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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423n/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))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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0.200n/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))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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751n/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))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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155n/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
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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751n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian Dopamine receptor D3 expressed in CHO cells by, using [3H]-spiperone as radioligand


J Med Chem 38: 2217-30 (1995)


Article DOI: 10.1021/jm00012a022
BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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2n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor


J Med Chem 37: 3263-73 (1994)


Article DOI: 10.1021/jm00046a010
BindingDB Entry DOI: 10.7270/Q21R6PJ7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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3.59E+3n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Displacement of the radioligand [3H]-spiperone from D2 receptor


J Med Chem 37: 3263-73 (1994)


Article DOI: 10.1021/jm00046a010
BindingDB Entry DOI: 10.7270/Q21R6PJ7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.


J Med Chem 38: 2217-30 (1995)


Article DOI: 10.1021/jm00012a022
BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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423n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian Dopamine receptor D2 expressed in CHO cells using [3H]U-86170 as radioligand


J Med Chem 38: 2217-30 (1995)


Article DOI: 10.1021/jm00012a022
BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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939n/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