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BDBM50035304 (4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-dipropyl-amine::CHEMBL305743

SMILES: CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1

InChI Key: InChIKey=YCTBHVBIEDZWCH-UHFFFAOYSA-N

Data: 5 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50035304   
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))
BDBM50035304
PNG
((4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
Show InChI InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
PDB

KEGG

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PubMed
1.40n/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))
BDBM50035304
PNG
((4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
Show InChI InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
KEGG

UniProtKB/SwissProt

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PubMed
1.60n/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)


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


(Rattus norvegicus (rat))
BDBM50035304
PNG
((4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
Show InChI InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
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PubMed
2.80n/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)


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


(Homo sapiens (Human))
BDBM50035304
PNG
((4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
Show InChI InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
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PubMed
11n/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)


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


(Homo sapiens (Human))
BDBM50035304
PNG
((4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
Show InChI InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
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PubMed
216n/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)


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