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BDBM50261316 3-Amino-5-(6-(2-(2-morpholinoethylamino)-6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one::CHEMBL511393

SMILES: Nc1nc2c(Oc3cc(ncn3)-c3ccc(nc3NCCN3CCOCC3)C(F)(F)F)cccc2[nH]c1=O

InChI Key: InChIKey=OHJXUHGHYSMZRL-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50261316   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261316
PNG
(3-Amino-5-(6-(2-(2-morpholinoethylamino)-6-(triflu...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(nc3NCCN3CCOCC3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C24H23F3N8O3/c25-24(26,27)18-5-4-14(22(33-18)29-6-7-35-8-10-37-11-9-35)16-12-19(31-13-30-16)38-17-3-1-2-15-20(17)34-21(28)23(36)32-15/h1-5,12-13H,6-11H2,(H2,28,34)(H,29,33)(H,32,36)
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MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261316
PNG
(3-Amino-5-(6-(2-(2-morpholinoethylamino)-6-(triflu...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(nc3NCCN3CCOCC3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C24H23F3N8O3/c25-24(26,27)18-5-4-14(22(33-18)29-6-7-35-8-10-37-11-9-35)16-12-19(31-13-30-16)38-17-3-1-2-15-20(17)34-21(28)23(36)32-15/h1-5,12-13H,6-11H2,(H2,28,34)(H,29,33)(H,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/a5.0n/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH 5 acid-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair