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BDBM50335161 3-[7-Bromo-5-(2-trifluoromethylphenyl)-1H-benzimidazol-2-yl]-1-oxa-2-aza-spiro[4.5]dec-2-ene::CHEMBL1650524

SMILES: FC(F)(F)c1ccccc1-c1cc(Br)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2

InChI Key: InChIKey=RMBRRONRZLRSRM-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 = 50335161   
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
Transient receptor potential M8 protein (TRPM8)


(Canis lupus familiaris (Dog))
BDBM50335161
PNG
(3-[7-Bromo-5-(2-trifluoromethylphenyl)-1H-benzimid...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(Br)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:23|
Show InChI InChI=1S/C22H19BrF3N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay


J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50335161
PNG
(3-[7-Bromo-5-(2-trifluoromethylphenyl)-1H-benzimid...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(Br)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:23|
Show InChI InChI=1S/C22H19BrF3N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes after 15 mis


J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair