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BDBM50332849 2-(4-cyclobutylpiperazin-1-yl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine::CHEMBL1630302

SMILES: FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CCC2)cc1

InChI Key: InChIKey=AZRVHUILULJHOJ-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50332849   
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))
BDBM50332849
PNG
(2-(4-cyclobutylpiperazin-1-yl)-N-(4-(trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C29H31F6N7/c30-28(31,32)19-6-8-20(9-7-19)37-25-22-10-13-41(26-23(29(33,34)35)5-2-12-36-26)14-11-24(22)38-27(39-25)42-17-15-40(16-18-42)21-3-1-4-21/h2,5-9,12,21H,1,3-4,10-11,13-18H2,(H,37,38,39)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 161n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay


Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50332849
PNG
(2-(4-cyclobutylpiperazin-1-yl)-N-(4-(trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C29H31F6N7/c30-28(31,32)19-6-8-20(9-7-19)37-25-22-10-13-41(26-23(29(33,34)35)5-2-12-36-26)14-11-24(22)38-27(39-25)42-17-15-40(16-18-42)21-3-1-4-21/h2,5-9,12,21H,1,3-4,10-11,13-18H2,(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay


Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair