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BDBM50119908 2-[1-(3-Fluoro-4-methyl-benzyl)-piperidin-4-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone::CHEMBL104273

SMILES: CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(F)c2)CC1

InChI Key: InChIKey=KIWCIUSCRQIWET-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50119908   
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 receptors; D2 & D4


(Homo sapiens (Human))
BDBM50119908
PNG
(2-[1-(3-Fluoro-4-methyl-benzyl)-piperidin-4-yl]-1-...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(F)c2)CC1
Show InChI InChI=1S/C24H29FN2O/c1-17-7-8-20(14-22(17)25)16-26-11-9-19(10-12-26)15-24(28)27-18(2)13-21-5-3-4-6-23(21)27/h3-8,14,18-19H,9-13,15-16H2,1-2H3
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PC cid
PC sid
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3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D4 receptor was determined via standard competitive displacement assays using [3H]-YM 09151 as radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119908
PNG
(2-[1-(3-Fluoro-4-methyl-benzyl)-piperidin-4-yl]-1-...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(F)c2)CC1
Show InChI InChI=1S/C24H29FN2O/c1-17-7-8-20(14-22(17)25)16-26-11-9-19(10-12-26)15-24(28)27-18(2)13-21-5-3-4-6-23(21)27/h3-8,14,18-19H,9-13,15-16H2,1-2H3
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antibodypedia
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PC cid
PC sid
UniChem
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23n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine D2 receptor, using [3H]-YM-09151 as a radioligand


Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50119908
PNG
(2-[1-(3-Fluoro-4-methyl-benzyl)-piperidin-4-yl]-1-...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(C)c(F)c2)CC1
Show InChI InChI=1S/C24H29FN2O/c1-17-7-8-20(14-22(17)25)16-26-11-9-19(10-12-26)15-24(28)27-18(2)13-21-5-3-4-6-23(21)27/h3-8,14,18-19H,9-13,15-16H2,1-2H3
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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
103n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3105-9 (2002)


BindingDB Entry DOI: 10.7270/Q2JM2908
More data for this
Ligand-Target Pair