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BDBM50001814 1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one::CHEMBL144901

SMILES: Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1

InChI Key: InChIKey=BTXNBVXZBBDLMA-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50001814   
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))
BDBM50001814
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from Dopamine receptor D2 rat striatal membranes


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001814
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor in rat cortical membranes


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001814
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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Article
PubMed
n/an/a 370n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor by [3H]-Spiperone displacement.


J Med Chem 37: 950-62 (1994)


Article DOI: 10.1021/jm00033a013
BindingDB Entry DOI: 10.7270/Q2GF0SKK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001814
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)


Article DOI: 10.1021/jm00104a007
BindingDB Entry DOI: 10.7270/Q2BK1B8P
More data for this
Ligand-Target Pair