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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/IC50
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

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



IRBM/Merck



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...

Bioorg Med Chem Lett 18: 1814-9 (2008)


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

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



Shanghai Institutes for Biological Sciences



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...

Bioorg Med Chem 17: 7301-12 (2009)


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