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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 = 'BDBM382112'   
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))
BDBM382112
PNG
((R)-6-(4-((2,4-difluorophenyl)fluoromethyl)piperid...)
Show SMILES CNC(=O)c1cnc(NC(C)C)c(n1)N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F
Show InChI InChI=1S/C21H26F3N5O/c1-12(2)27-19-20(28-17(11-26-19)21(30)25-3)29-8-6-13(7-9-29)18(24)15-5-4-14(22)10-16(15)23/h4-5,10-13,18H,6-9H2,1-3H3,(H,25,30)(H,26,27)/t18-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.03E+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))
BDBM382112
PNG
((R)-6-(4-((2,4-difluorophenyl)fluoromethyl)piperid...)
Show SMILES CNC(=O)c1cnc(NC(C)C)c(n1)N1CCC(CC1)[C@@H](F)c1ccc(F)cc1F
Show InChI InChI=1S/C21H26F3N5O/c1-12(2)27-19-20(28-17(11-26-19)21(30)25-3)29-8-6-13(7-9-29)18(24)15-5-4-14(22)10-16(15)23/h4-5,10-13,18H,6-9H2,1-3H3,(H,25,30)(H,26,27)/t18-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.03E+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