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BDBM50064559 CHEMBL61470::Piperidin-1-yl-{3-[4-(3-trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone

SMILES: FC(F)(F)c1cccc(c1)N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1

InChI Key: InChIKey=DHBAVPRIEVIAEK-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50064559   
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))
BDBM50064559
PNG
(CHEMBL61470 | Piperidin-1-yl-{3-[4-(3-trifluoromet...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C24H28F3N3O/c25-24(26,27)21-8-5-9-22(17-21)29-14-12-28(13-15-29)18-19-6-4-7-20(16-19)23(31)30-10-2-1-3-11-30/h4-9,16-17H,1-3,10-15,18H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A receptor from rat cerebral cortex


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50064559
PNG
(CHEMBL61470 | Piperidin-1-yl-{3-[4-(3-trifluoromet...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C24H28F3N3O/c25-24(26,27)21-8-5-9-22(17-21)29-14-12-28(13-15-29)18-19-6-4-7-20(16-19)23(31)30-10-2-1-3-11-30/h4-9,16-17H,1-3,10-15,18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
682n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 from rat striatum


J Med Chem 41: 1997-2009 (1998)


Article DOI: 10.1021/jm970164z
BindingDB Entry DOI: 10.7270/Q2KK9CG0
More data for this
Ligand-Target Pair