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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 = 'BDBM382122'   
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))
BDBM382122
PNG
(US10000468, Example 31 | US10273225, Example 31)
Show SMILES CC(C)Nc1nc(cnc1N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F)C#N
Show InChI InChI=1S/C20H22F3N5/c1-12(2)26-19-20(25-11-15(10-24)27-19)28-7-5-13(6-8-28)18(23)16-4-3-14(21)9-17(16)22/h3-4,9,11-13,18H,5-8H2,1-2H3,(H,26,27)/t18-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.80E+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))
BDBM382122
PNG
(US10000468, Example 31 | US10273225, Example 31)
Show SMILES CC(C)Nc1nc(cnc1N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F)C#N
Show InChI InChI=1S/C20H22F3N5/c1-12(2)26-19-20(25-11-15(10-24)27-19)28-7-5-13(6-8-28)18(23)16-4-3-14(21)9-17(16)22/h3-4,9,11-13,18H,5-8H2,1-2H3,(H,26,27)/t18-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.80E+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