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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 6' and Ligand = 'BDBM381944'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM381944
PNG
(US10000468, Example 14 | US10273225, Example 14)
Show SMILES CN(C)C(=O)c1nc(NC2CC2)c(nc1C#N)N1CCN(Cc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C22H25F2N7O/c1-29(2)22(32)19-18(12-25)27-21(20(28-19)26-16-5-6-16)31-9-7-30(8-10-31)13-14-3-4-15(23)11-17(14)24/h3-4,11,16H,5-10,13H2,1-2H3,(H,26,28)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.87E+4n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10273225 (2019)


BindingDB Entry DOI: 10.7270/Q24X5B3J
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM381944
PNG
(US10000468, Example 14 | US10273225, Example 14)
Show SMILES CN(C)C(=O)c1nc(NC2CC2)c(nc1C#N)N1CCN(Cc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C22H25F2N7O/c1-29(2)22(32)19-18(12-25)27-21(20(28-19)26-16-5-6-16)31-9-7-30(8-10-31)13-14-3-4-15(23)11-17(14)24/h3-4,11,16H,5-10,13H2,1-2H3,(H,26,28)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.87E+4n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
This cell based assay measures the ability of compounds to inhibit the constitutive cAMP activity of GPR6 receptor expressed in CHO-K1 cells. CHO cel...


US Patent US10000468 (2018)


BindingDB Entry DOI: 10.7270/Q23R0W71
More data for this
Ligand-Target Pair