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BDBM50277252 4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(2-methoxyethyl)pyrimidin-2-amine::CHEMBL515573

SMILES: COCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1

InChI Key: InChIKey=NYTBSMRRGSUXPY-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50277252   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50277252
PNG
(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(2-...)
Show SMILES COCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5O/c1-28-14-11-24-22-23-10-8-20(26-22)18-5-4-12-27(16-18)13-9-17-15-25-21-7-3-2-6-19(17)21/h2-3,6-8,10,15,18,25H,4-5,9,11-14,16H2,1H3,(H,23,24,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
66.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50277252
PNG
(4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(2-...)
Show SMILES COCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5O/c1-28-14-11-24-22-23-10-8-20(26-22)18-5-4-12-27(16-18)13-9-17-15-25-21-7-3-2-6-19(17)21/h2-3,6-8,10,15,18,25H,4-5,9,11-14,16H2,1H3,(H,23,24,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 40.7n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1A receptor expressed in CHO cells by FLIPR


Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair