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BDBM50077830 3-{3-[4-Fluoro-4-(3-fluoro-benzyl)-piperidin-1-yl]-propyl}-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL65765

SMILES: Fc1cccc(CC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1

InChI Key: InChIKey=LPPYLTGGPIRXQL-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50077830   
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 1B


(Homo sapiens (human))
BDBM50077830
PNG
(3-{3-[4-Fluoro-4-(3-fluoro-benzyl)-piperidin-1-yl]...)
Show SMILES Fc1cccc(CC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H27F2N5/c26-21-5-1-3-19(13-21)15-25(27)8-11-31(12-9-25)10-2-4-20-16-28-24-7-6-22(14-23(20)24)32-17-29-30-18-32/h1,3,5-7,13-14,16-18,28H,2,4,8-12,15H2
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PC sid
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Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1B receptor expressed in CHO cells


J Med Chem 42: 2087-104 (1999)


Article DOI: 10.1021/jm981133m
BindingDB Entry DOI: 10.7270/Q2765DHF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50077830
PNG
(3-{3-[4-Fluoro-4-(3-fluoro-benzyl)-piperidin-1-yl]...)
Show SMILES Fc1cccc(CC2(F)CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
Show InChI InChI=1S/C25H27F2N5/c26-21-5-1-3-19(13-21)15-25(27)8-11-31(12-9-25)10-2-4-20-16-28-24-7-6-22(14-23(20)24)32-17-29-30-18-32/h1,3,5-7,13-14,16-18,28H,2,4,8-12,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck, Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells


J Med Chem 42: 2087-104 (1999)


Article DOI: 10.1021/jm981133m
BindingDB Entry DOI: 10.7270/Q2765DHF
More data for this
Ligand-Target Pair