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BDBM50261152 3-amino-5-(2-((1-neopentylpiperidin-2-yl)methylamino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one::CHEMBL510372

SMILES: CC(C)(C)CN1CCCCC1CNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=LOFLHDZWTMTTOF-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50261152   
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))
BDBM50261152
PNG
(3-amino-5-(2-((1-neopentylpiperidin-2-yl)methylami...)
Show SMILES CC(C)(C)CN1CCCCC1CNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N7O2/c1-29(2,3)17-40-14-5-4-7-20(40)16-35-28-37-22(18-10-12-19(13-11-18)30(31,32)33)15-24(38-28)42-23-9-6-8-21-25(23)39-26(34)27(41)36-21/h6,8-13,15,20H,4-5,7,14,16-17H2,1-3H3,(H2,34,39)(H,36,41)(H,35,37,38)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.10n/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))
BDBM50261152
PNG
(3-amino-5-(2-((1-neopentylpiperidin-2-yl)methylami...)
Show SMILES CC(C)(C)CN1CCCCC1CNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H34F3N7O2/c1-29(2,3)17-40-14-5-4-7-20(40)16-35-28-37-22(18-10-12-19(13-11-18)30(31,32)33)15-24(38-28)42-23-9-6-8-21-25(23)39-26(34)27(41)36-21/h6,8-13,15,20H,4-5,7,14,16-17H2,1-3H3,(H2,34,39)(H,36,41)(H,35,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/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