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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 6' and Ligand = 'BDBM190913'   
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
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM190913
PNG
(US10077266, Example 24 | US9181249, 24 | US9708313...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)C(F)F
Show InChI InChI=1S/C23H27F4N5O2/c1-13(2)28-21-22(30-17-7-10-32(12-18(17)29-21)23(33)20(26)27)31-8-5-15(6-9-31)34-19-4-3-14(24)11-16(19)25/h3-4,11,13,15,20H,5-10,12H2,1-2H3,(H,28,29)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.129n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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 US9181249 (2015)


BindingDB Entry DOI: 10.7270/Q2HM577D
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM190913
PNG
(US10077266, Example 24 | US9181249, 24 | US9708313...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)C(F)F
Show InChI InChI=1S/C23H27F4N5O2/c1-13(2)28-21-22(30-17-7-10-32(12-18(17)29-21)23(33)20(26)27)31-8-5-15(6-9-31)34-19-4-3-14(24)11-16(19)25/h3-4,11,13,15,20H,5-10,12H2,1-2H3,(H,28,29)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.29E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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 US9708313 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP4858
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM190913
PNG
(US10077266, Example 24 | US9181249, 24 | US9708313...)
Show SMILES CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)C(F)F
Show InChI InChI=1S/C23H27F4N5O2/c1-13(2)28-21-22(30-17-7-10-32(12-18(17)29-21)23(33)20(26)27)31-8-5-15(6-9-31)34-19-4-3-14(24)11-16(19)25/h3-4,11,13,15,20H,5-10,12H2,1-2H3,(H,28,29)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 1.29E+5n/an/an/an/an/an/a



TAKEDA PHARMACEUTICAL COMPANY LIMITED

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 US10077266 (2018)


Article DOI: 10.1021/jm061214f
More data for this
Ligand-Target Pair