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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential M8 protein' and Ligand = 'BDBM241631'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))
BDBM241631
PNG
(US9409915, 14 | US9718820, Compound 14)
Show SMILES CC(C)Oc1nc(cc2nc([nH]c12)-c1c(C#N)c(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H25F3N6O/c1-13(2)35-23-19-18(11-17(31-23)14-9-7-8-10-16(14)25(26,27)28)30-22(32-19)20-15(12-29)21(24(3,4)5)33-34(20)6/h7-11,13H,1-6H3,(H,30,32)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/a25



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
HEK293 cells stably expressing canine TRPM8 were routinely grown as monolayers in Dulbecco's minimum essential medium supplemented with 10% FBS, ...


US Patent US9718820 (2017)


BindingDB Entry DOI: 10.7270/Q2RV0QQ5
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))
BDBM241631
PNG
(US9409915, 14 | US9718820, Compound 14)
Show SMILES CC(C)Oc1nc(cc2nc([nH]c12)-c1c(C#N)c(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H25F3N6O/c1-13(2)35-23-19-18(11-17(31-23)14-9-7-8-10-16(14)25(26,27)28)30-22(32-19)20-15(12-29)21(24(3,4)5)33-34(20)6/h7-11,13H,1-6H3,(H,30,32)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells stably expressing canine TRPM8 were routinely grown as monolayers in Dulbecco's minimum essential medium supplemented with 10% FBS, 2 mM...


US Patent US9409915 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BVJ
More data for this
Ligand-Target Pair