Compile Data Set for Download or QSAR

Found 2375 hits with Last Name = 'monenschein' and Initial = 'h'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
G-protein coupled receptor 6 (Homo sapiens (Human))	BDBM412953 (US10406157, Compound Formula 1) Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CCOC3)nc2C1 Show InChI InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	UniChem	US Patent	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The inhibition constant (Ki) from a GPR6 competition binding assay and the IC50 values from a hERG functional assay for the compound of Formula 1 (Ex...				US Patent US10406157 (2019) BindingDB Entry DOI: 10.7270/Q2J105HQ
					More data for this Ligand-Target Pair
G-protein coupled receptor 6 (Homo sapiens (Human))	BDBM191037 (US10077266, Example 149 | US10406157, Compound A |...) Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@H]3CCOC3)nc2C1 |r| Show InChI InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The inhibition constant (Ki) from a GPR6 competition binding assay and the IC50 values from a hERG functional assay for the compound of Formula 1 (Ex...				US Patent US10406157 (2019) BindingDB Entry DOI: 10.7270/Q2J105HQ
					More data for this Ligand-Target Pair
G-protein coupled receptor 6 (Homo sapiens (Human))	BDBM50582430 (CHEMBL4598390) Show SMILES Fc1ccc(CN2CCN(CC2)c2nc3cnccc3nc2NC2CC2)c(F)c1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 3H-RL338 from human GPR6 expressed in T-REx-CHO-GPR6 cells assessed as inhibition constant by competition binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02081 BindingDB Entry DOI: 10.7270/Q2JW8JSH
					More data for this Ligand-Target Pair
G-protein coupled receptor 6 (Homo sapiens (Human))	BDBM50582450 (CHEMBL4778540) Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@@H]3CCOC3)nc2C1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 3H-RL338 from human GPR6 expressed in T-REx-CHO-GPR6 cells assessed as inhibition constant by competition binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02081 BindingDB Entry DOI: 10.7270/Q2JW8JSH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263478 ((s)-2-(6,8-dimethyl-4-oxobenzo[d][1,2,3]triazin-3(...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(C)cc(C)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-5-7-16(8-6-12)15(4)21-18(25)11-24-20(26)17-10-13(2)9-14(3)19(17)22-23-24/h5-10,15H,11H2,1-4H3,(H,21,25)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263478 ((s)-2-(6,8-dimethyl-4-oxobenzo[d][1,2,3]triazin-3(...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(C)cc(C)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C20H22N4O2/c1-12-5-7-16(8-6-12)15(4)21-18(25)11-24-20(26)17-10-13(2)9-14(3)19(17)22-23-24/h5-10,15H,11H2,1-4H3,(H,21,25)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	-42.4	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263499 ((s)?n-(1-(2-fluoro-4-(trifluoromethyl)phenyl)ethyl...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3F)C(F)(F)F)c(=O)c12 |r| Show InChI InChI=1S/C19H16F4N4O3/c1-10(12-7-6-11(8-13(12)20)19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	-42.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263499 ((s)?n-(1-(2-fluoro-4-(trifluoromethyl)phenyl)ethyl...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3F)C(F)(F)F)c(=O)c12 |r| Show InChI InChI=1S/C19H16F4N4O3/c1-10(12-7-6-11(8-13(12)20)19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
G-protein coupled receptor 6 (Homo sapiens (Human))	BDBM50582449 (CHEMBL5093828) Show SMILES CC(C)Nc1nc2CN(C=Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O |c:9| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 3H-RL338 from human GPR6 expressed in T-REx-CHO-GPR6 cells assessed as inhibition constant by competition binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02081 BindingDB Entry DOI: 10.7270/Q2JW8JSH
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263461 ((s)-2-(6,8-dichloro-4-oxobenzo[d][1,2,3]triazin-3(...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C18H16Cl2N4O2/c1-10-3-5-12(6-4-10)11(2)21-16(25)9-24-18(26)14-7-13(19)8-15(20)17(14)22-23-24/h3-8,11H,9H2,1-2H3,(H,21,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263493 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3 (4h...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c(=O)c12 |r| Show InChI InChI=1S/C19H17F3N4O3/c1-11(12-6-8-13(9-7-12)19(20,21)22)23-16(27)10-26-18(28)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263461 ((s)-2-(6,8-dichloro-4-oxobenzo[d][1,2,3]triazin-3(...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C18H16Cl2N4O2/c1-10-3-5-12(6-4-10)11(2)21-16(25)9-24-18(26)14-7-13(19)8-15(20)17(14)22-23-24/h3-8,11H,9H2,1-2H3,(H,21,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	-40.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263493 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3 (4h...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c(=O)c12 |r| Show InChI InChI=1S/C19H17F3N4O3/c1-11(12-6-8-13(9-7-12)19(20,21)22)23-16(27)10-26-18(28)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	-40.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263504 ((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3F)c(=O)c12 |r| Show InChI InChI=1S/C19H16F4N4O4/c1-10(12-7-6-11(8-13(12)20)31-19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	-39.7	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263490 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17F3N4O4/c1-11(12-6-8-13(9-7-12)30-19(20,21)22)23-16(27)10-26-18(28)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	-39.7	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263504 ((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3F)c(=O)c12 |r| Show InChI InChI=1S/C19H16F4N4O4/c1-10(12-7-6-11(8-13(12)20)31-19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263504 ((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3F)c(=O)c12 |r| Show InChI InChI=1S/C19H16F4N4O4/c1-10(12-7-6-11(8-13(12)20)31-19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263490 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17F3N4O4/c1-11(12-6-8-13(9-7-12)30-19(20,21)22)23-16(27)10-26-18(28)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263484 ((s)?n-(1-(2,4-dimethylphenyl)ethyl)-2-(6-fluoro-4-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C)cc1C |r| Show InChI InChI=1S/C19H19FN4O2/c1-11-4-6-15(12(2)8-11)13(3)21-18(25)10-24-19(26)16-9-14(20)5-7-17(16)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263484 ((s)?n-(1-(2,4-dimethylphenyl)ethyl)-2-(6-fluoro-4-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C)cc1C |r| Show InChI InChI=1S/C19H19FN4O2/c1-11-4-6-15(12(2)8-11)13(3)21-18(25)10-24-19(26)16-9-14(20)5-7-17(16)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	39	-39.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263487 ((s)-2-(6-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C18H14F4N4O3/c1-10(11-2-5-13(6-3-11)29-18(20,21)22)23-16(27)9-26-17(28)14-8-12(19)4-7-15(14)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263487 ((s)-2-(6-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C18H14F4N4O3/c1-10(11-2-5-13(6-3-11)29-18(20,21)22)23-16(27)9-26-17(28)14-8-12(19)4-7-15(14)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	-39.1	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263369 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H20N4O3/c1-12-7-9-14(10-8-12)13(2)20-17(24)11-23-19(25)18-15(21-22-23)5-4-6-16(18)26-3/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263369 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H20N4O3/c1-12-7-9-14(10-8-12)13(2)20-17(24)11-23-19(25)18-15(21-22-23)5-4-6-16(18)26-3/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263369 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H20N4O3/c1-12-7-9-14(10-8-12)13(2)20-17(24)11-23-19(25)18-15(21-22-23)5-4-6-16(18)26-3/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	48	-38.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263453 ((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c2c1 |r| Show InChI InChI=1S/C19H20N4O3/c1-12-4-6-14(7-5-12)13(2)20-18(24)11-23-19(25)16-10-15(26-3)8-9-17(16)21-22-23/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263453 ((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c2c1 |r| Show InChI InChI=1S/C19H20N4O3/c1-12-4-6-14(7-5-12)13(2)20-18(24)11-23-19(25)16-10-15(26-3)8-9-17(16)21-22-23/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58	-38.4	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263453 ((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(C)cc3)c(=O)c2c1 |r| Show InChI InChI=1S/C19H20N4O3/c1-12-4-6-14(7-5-12)13(2)20-18(24)11-23-19(25)16-10-15(26-3)8-9-17(16)21-22-23/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263420 ((s)?n-(1-(2,4-dimethylphenyl)ethyl)-2-(4-oxobenzo[...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1C |r| Show InChI InChI=1S/C19H20N4O2/c1-12-8-9-15(13(2)10-12)14(3)20-18(24)11-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263420 ((s)?n-(1-(2,4-dimethylphenyl)ethyl)-2-(4-oxobenzo[...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1C |r| Show InChI InChI=1S/C19H20N4O2/c1-12-8-9-15(13(2)10-12)14(3)20-18(24)11-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263420 ((s)?n-(1-(2,4-dimethylphenyl)ethyl)-2-(4-oxobenzo[...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1C |r| Show InChI InChI=1S/C19H20N4O2/c1-12-8-9-15(13(2)10-12)14(3)20-18(24)11-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	63	-38.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263459 ((s)-2-(8-methyl-4-oxobenzo[d][1,2,3]triazin-3(4h)-...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(C)cccc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)16-6-4-5-13(2)18(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	72	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263459 ((s)-2-(8-methyl-4-oxobenzo[d][1,2,3]triazin-3(4h)-...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(C)cccc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)16-6-4-5-13(2)18(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263490 ((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H17F3N4O4/c1-11(12-6-8-13(9-7-12)30-19(20,21)22)23-16(27)10-26-18(28)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263486 ((s)?n-(1-(2-fluoro-4-methylphenyl)ethyl)-2-(6-fluo...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C)cc1F |r| Show InChI InChI=1S/C18H16F2N4O2/c1-10-3-5-13(15(20)7-10)11(2)21-17(25)9-24-18(26)14-8-12(19)4-6-16(14)22-23-24/h3-8,11H,9H2,1-2H3,(H,21,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	77	-37.7	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263486 ((s)?n-(1-(2-fluoro-4-methylphenyl)ethyl)-2-(6-fluo...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C)cc1F |r| Show InChI InChI=1S/C18H16F2N4O2/c1-10-3-5-13(15(20)7-10)11(2)21-17(25)9-24-18(26)14-8-12(19)4-6-16(14)22-23-24/h3-8,11H,9H2,1-2H3,(H,21,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263482 ((s)-2-(8-fluoro-6-methyl-4-oxobenzo[d][1,2,3]triaz...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(F)cc(C)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H19FN4O2/c1-11-4-6-14(7-5-11)13(3)21-17(25)10-24-19(26)15-8-12(2)9-16(20)18(15)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	85	-37.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263482 ((s)-2-(8-fluoro-6-methyl-4-oxobenzo[d][1,2,3]triaz...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(F)cc(C)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H19FN4O2/c1-11-4-6-14(7-5-11)13(3)21-17(25)10-24-19(26)15-8-12(2)9-16(20)18(15)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263482 ((s)-2-(8-fluoro-6-methyl-4-oxobenzo[d][1,2,3]triaz...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(F)cc(C)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H19FN4O2/c1-11-4-6-14(7-5-11)13(3)21-17(25)10-24-19(26)15-8-12(2)9-16(20)18(15)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of (S)-N-(1-(2-[3H]-4-methoxyphenyl)propan-2-yl)-2-(2,3-dimethyl-7-oxothieno[2,3-d]pyridazin-6(7H)-yl)acetamide from human GPR139 expres...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00820 BindingDB Entry DOI: 10.7270/Q25B068P
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263474 ((s)-2-(5-methyl-4-oxobenzo[d][1,2,3]triazin-3 (4h)...) Show SMILES C[C@H](NC(=O)Cn1nnc2cccc(C)c2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)18-13(2)5-4-6-16(18)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263474 ((s)-2-(5-methyl-4-oxobenzo[d][1,2,3]triazin-3 (4h)...) Show SMILES C[C@H](NC(=O)Cn1nnc2cccc(C)c2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)18-13(2)5-4-6-16(18)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	92	-37.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263503 ((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1F |r| Show InChI InChI=1S/C18H13F5N4O3/c1-9(12-4-3-11(7-14(12)20)30-18(21,22)23)24-16(28)8-27-17(29)13-6-10(19)2-5-15(13)25-26-27/h2-7,9H,8H2,1H3,(H,24,28)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	93	-37.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263503 ((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1F |r| Show InChI InChI=1S/C18H13F5N4O3/c1-9(12-4-3-11(7-14(12)20)30-18(21,22)23)24-16(28)8-27-17(29)13-6-10(19)2-5-15(13)25-26-27/h2-7,9H,8H2,1H3,(H,24,28)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263496 ((s)-2-(6-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H14F4N4O2/c1-10(11-2-4-12(5-3-11)18(20,21)22)23-16(27)9-26-17(28)14-8-13(19)6-7-15(14)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263496 ((s)-2-(6-fluoro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H14F4N4O2/c1-10(11-2-4-12(5-3-11)18(20,21)22)23-16(27)9-26-17(28)14-8-13(19)6-7-15(14)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	106	-37.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263457 ((s)-2-(8-chloro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(Cl)cccc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C18H17ClN4O2/c1-11-6-8-13(9-7-11)12(2)20-16(24)10-23-18(25)14-4-3-5-15(19)17(14)21-22-23/h3-9,12H,10H2,1-2H3,(H,20,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263457 ((s)-2-(8-chloro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...) Show SMILES C[C@H](NC(=O)Cn1nnc2c(Cl)cccc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C18H17ClN4O2/c1-11-6-8-13(9-7-11)12(2)20-16(24)10-23-18(25)14-4-3-5-15(19)17(14)21-22-23/h3-9,12H,10H2,1-2H3,(H,20,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263492 ((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c(=O)c2c1 |r| Show InChI InChI=1S/C19H17F3N4O3/c1-11(12-3-5-13(6-4-12)19(20,21)22)23-17(27)10-26-18(28)15-9-14(29-2)7-8-16(15)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	115	-36.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263492 ((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c(=O)c2c1 |r| Show InChI InChI=1S/C19H17F3N4O3/c1-11(12-3-5-13(6-4-12)19(20,21)22)23-17(27)10-26-18(28)15-9-14(29-2)7-8-16(15)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Membranes were removed from −80° C., thawed and diluted in cold radioligand assay buffer (20 mM HEPES pH 7.4/5 mM MgCl2/1 mM CaCl2/Roche protea...				Citation and Details BindingDB Entry DOI: 10.7270/Q28D00DM
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263509 (US10561662, Example 81 | US11173161, EX 81 | US955...) Show SMILES COc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)c(Cl)c1 Show InChI InChI=1S/C18H17ClN4O3/c1-26-13-7-6-12(15(19)10-13)8-9-20-17(24)11-23-18(25)14-4-2-3-5-16(14)21-22-23/h2-7,10H,8-9,11H2,1H3,(H,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	117	-36.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Takeda Pharmaceutical Company Limited US Patent					Assay Description This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...				US Patent US9556130 (2017) BindingDB Entry DOI: 10.7270/Q29025SJ
					More data for this Ligand-Target Pair

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