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BDBM50463855 CHEMBL4248077

SMILES: Fc1cccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=IJTSMWHYNKDXNG-INIZCTEOSA-N

Data: 3 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 3 hits for monomerid = 50463855   
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 cation channel subfamily M member 8


(Mus musculus)
BDBM50463855
PNG
(CHEMBL4248077)
Show SMILES Fc1cccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H13F4N3O2/c20-14-2-1-9-24-17(14)16(11-3-6-13(7-4-11)19(21,22)23)26-18(28)12-5-8-15(27)25-10-12/h1-10,16H,(H,25,27)(H,26,28)/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced intracellular calcium levels preincubated for 2.5 ...


J Med Chem 61: 8186-8201 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00518
BindingDB Entry DOI: 10.7270/Q2TH8QCW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50463855
PNG
(CHEMBL4248077)
Show SMILES Fc1cccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H13F4N3O2/c20-14-2-1-9-24-17(14)16(11-3-6-13(7-4-11)19(21,22)23)26-18(28)12-5-8-15(27)25-10-12/h1-10,16H,(H,25,27)(H,26,28)/t16-/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced intracellular calcium levels preincubated for 2.5 ...


J Med Chem 61: 8186-8201 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00518
BindingDB Entry DOI: 10.7270/Q2TH8QCW
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50463855
PNG
(CHEMBL4248077)
Show SMILES Fc1cccnc1[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C19H13F4N3O2/c20-14-2-1-9-24-17(14)16(11-3-6-13(7-4-11)19(21,22)23)26-18(28)12-5-8-15(27)25-10-12/h1-10,16H,(H,25,27)(H,26,28)/t16-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in CHO cells assessed as inhibition of icilin-induced intracellular calcium levels preincubated for 2.5 mi...


J Med Chem 61: 8186-8201 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00518
BindingDB Entry DOI: 10.7270/Q2TH8QCW
More data for this
Ligand-Target Pair