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BDBM50035336 8-(Phenethyl-propyl-amino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde::CHEMBL304767

SMILES: CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1

InChI Key: InChIKey=GVFSLSBQCUQRBA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50035336   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035336
PNG
(8-(Phenethyl-propyl-amino)-6,7,8,9-tetrahydro-3H-b...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3
KEGG

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PubMed
0.0400n/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
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50035336
PNG
(8-(Phenethyl-propyl-amino)-6,7,8,9-tetrahydro-3H-b...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3
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PubMed
2.80n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1D receptor alpha expressed in CHO cells, by using [3H]5-HT 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))
BDBM50035336
PNG
(8-(Phenethyl-propyl-amino)-6,7,8,9-tetrahydro-3H-b...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3
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56n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1D receptor beta expressed in CHO cells, by using [3H]5-HT 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))
BDBM50035336
PNG
(8-(Phenethyl-propyl-amino)-6,7,8,9-tetrahydro-3H-b...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3
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62n/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
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50035336
PNG
(8-(Phenethyl-propyl-amino)-6,7,8,9-tetrahydro-3H-b...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
81n/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