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BDBM50034324 (3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole::(3aS,9aR)-5-methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole::5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole::CHEMBL11388

SMILES: CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC

InChI Key: InChIKey=HDCVYYTWHHFQGS-UKRRQHHQSA-N

Data: 9 KI  1 IC50

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 = 50034324   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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17n/an/an/an/an/an/an/an/a



Arris Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocampus


J Med Chem 38: 1295-308 (1995)


Article DOI: 10.1021/jm00008a008
BindingDB Entry DOI: 10.7270/Q2CJ8CJ9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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37n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus


J Med Chem 36: 1069-83 (1993)


Article DOI: 10.1021/jm00060a015
BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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37n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus


J Med Chem 36: 1069-83 (1993)


Article DOI: 10.1021/jm00060a015
BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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38n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand


J Med Chem 36: 1301-15 (1993)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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55n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells


J Med Chem 36: 1069-83 (1993)


Article DOI: 10.1021/jm00060a015
BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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75n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligand


J Med Chem 36: 1301-15 (1993)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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100n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells


J Med Chem 36: 1069-83 (1993)


Article DOI: 10.1021/jm00060a015
BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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100n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells


J Med Chem 36: 1069-83 (1993)


Article DOI: 10.1021/jm00060a015
BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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877n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for [3H]raclopride-labeled dopamine receptor D2 in rat striatum


J Med Chem 36: 1069-83 (1993)


Article DOI: 10.1021/jm00060a015
BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50034324
PNG
((3aS,9aR) 5-Methoxy-1-propyl-2,3,3a,4,9,9a-hexahyd...)
Show SMILES CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-13-10-14-12(11-15(13)17)5-4-6-16(14)18-2/h4-6,13,15H,3,7-11H2,1-2H3/t13-,15-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]raclopride-labeled dopamine receptor D2 in rat striatum


J Med Chem 36: 1069-83 (1993)


Article DOI: 10.1021/jm00060a015
BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair