Compile Data Set for Download or QSAR

Found 459 hits with Last Name = 'ray' and Initial = 'wj'   

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))	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
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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296936 (16-[(3-Fluorophenyl)methylidene]-17beta-hydroxy-4-...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30| Show InChI InChI=1S/C26H32FNO2/c1-25-12-10-23(29)28(3)22(25)8-7-19-20(25)9-11-26(2)21(19)15-17(24(26)30)13-16-5-4-6-18(27)14-16/h4-6,10,12-14,19-22,24,30H,7-9,11,15H2,1-3H3/b17-13+/t19-,20+,21+,22-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG potassium channel				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296937 (16-[(3,5-Difluorophenyl)methylidene]-17beta-hydrox...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cc(F)cc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:31| Show InChI InChI=1S/C26H31F2NO2/c1-25-9-7-23(30)29(3)22(25)5-4-19-20(25)6-8-26(2)21(19)13-16(24(26)31)10-15-11-17(27)14-18(28)12-15/h7,9-12,14,19-22,24,31H,4-6,8,13H2,1-3H3/b16-10+/t19-,20+,21+,22-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG potassium channel				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					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))	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	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))	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))	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))	BDBM263368 ((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	119	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))	BDBM263501 ((s)?n-(1-(4-(difluoromethoxy)phenyl)ethyl)-2-(5-me...) Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)F)cc3)c(=O)c12 |r| Show InChI InChI=1S/C19H18F2N4O4/c1-11(12-6-8-13(9-7-12)29-19(20)21)22-16(26)10-25-18(27)17-14(23-24-25)4-3-5-15(17)28-2/h3-9,11,19H,10H2,1-2H3,(H,22,26)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	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))	BDBM263502 ((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)(F)F)cc1F |r| Show InChI InChI=1S/C18H14F4N4O3/c1-10(12-7-6-11(8-14(12)19)29-18(20,21)22)23-16(27)9-26-17(28)13-4-2-3-5-15(13)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	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))	BDBM263440 ((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C18H15F3N4O2/c1-11(12-6-8-13(9-7-12)18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	148	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))	BDBM263497 ((s)?n-(1-(2-fluoro-4-(trifluoromethyl)phenyl)ethyl...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(cc1F)C(F)(F)F |r| Show InChI InChI=1S/C18H14F4N4O2/c1-10(12-7-6-11(8-14(12)19)18(20,21)22)23-16(27)9-26-17(28)13-4-2-3-5-15(13)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	152	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))	BDBM263485 ((s)?n-(1-(2-fluoro-4-methylphenyl)ethyl)-2-(4-oxob...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1F |r| Show InChI InChI=1S/C18H17FN4O2/c1-11-7-8-13(15(19)9-11)12(2)20-17(24)10-23-18(25)14-5-3-4-6-16(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	Article PubMed	171	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))	BDBM263463 ((s)-2-(6-methyl-4-oxobenzo[d][1,2,3]triazin-3(4h)-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(C)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H20N4O2/c1-12-4-7-15(8-5-12)14(3)20-18(24)11-23-19(25)16-10-13(2)6-9-17(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	179	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))	BDBM263445 ((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(C)cc1 |r| Show InChI InChI=1S/C18H17FN4O2/c1-11-3-5-13(6-4-11)12(2)20-17(24)10-23-18(25)15-9-14(19)7-8-16(15)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	Article PubMed	182	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))	BDBM263454 ((s)-2-(6-chloro-4-oxobenzo[d][1,2,3]triazin-3 (4h)...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(Cl)cc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C18H17ClN4O2/c1-11-3-5-13(6-4-11)12(2)20-17(24)10-23-18(25)15-9-14(19)7-8-16(15)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	Article PubMed	189	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296938 (16-(Phenylmethylidene)-17beta-hydroxy-4-methyl-4-a...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccccc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C26H33NO2/c1-25-14-12-23(28)27(3)22(25)10-9-19-20(25)11-13-26(2)21(19)16-18(24(26)29)15-17-7-5-4-6-8-17/h4-8,12,14-15,19-22,24,29H,9-11,13,16H2,1-3H3/b18-15+/t19-,20+,21+,22-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG potassium channel				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263391 ((s)?n-(1-(4-chlorophenyl)ethyl)-2-(4-oxobenzo[d][1...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H15ClN4O2/c1-11(12-6-8-13(18)9-7-12)19-16(23)10-22-17(24)14-4-2-3-5-15(14)20-21-22/h2-9,11H,10H2,1H3,(H,19,23)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	228	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296935 (16alpha-(3-Fluorobenzyl)-17beta-hydroxy-4-methyl-4...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C[C@@H](Cc5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30| Show InChI InChI=1S/C26H34FNO2/c1-25-12-10-23(29)28(3)22(25)8-7-19-20(25)9-11-26(2)21(19)15-17(24(26)30)13-16-5-4-6-18(27)14-16/h4-6,10,12,14,17,19-22,24,30H,7-9,11,13,15H2,1-3H3/t17-,19-,20+,21+,22-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG potassium channel				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296941 (16-(Pyridin-4-ylmethylidene)-17beta-hydroxy-4-meth...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccncc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C25H32N2O2/c1-24-11-7-22(28)27(3)21(24)5-4-18-19(24)6-10-25(2)20(18)15-17(23(25)29)14-16-8-12-26-13-9-16/h7-9,11-14,18-21,23,29H,4-6,10,15H2,1-3H3/b17-14+/t18-,19+,20+,21-,23+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG potassium channel				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM263480 ((s)-2-(4-oxo-6-(trifluoromethyl)benzo[d][1,2,3]tri...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(cc2c1=O)C(F)(F)F)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H17F3N4O2/c1-11-3-5-13(6-4-11)12(2)23-17(27)10-26-18(28)15-9-14(19(20,21)22)7-8-16(15)24-25-26/h3-9,12H,10H2,1-2H3,(H,23,27)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	435	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))	BDBM263471 ((s)-2-(7-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1ccc2c(c1)nnn(CC(=O)N[C@@H](C)c1ccc(C)cc1)c2=O |r| Show InChI InChI=1S/C19H20N4O3/c1-12-4-6-14(7-5-12)13(2)20-18(24)11-23-19(25)16-9-8-15(26-3)10-17(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	437	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))	BDBM263370 ((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C18H18N4O2/c1-12-7-9-14(10-8-12)13(2)19-17(23)11-22-18(24)15-5-3-4-6-16(15)20-21-22/h3-10,13H,11H2,1-2H3,(H,19,23)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	467	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))	BDBM50566740 (CHEMBL4776509) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Br)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	486	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))	BDBM263498 ((s)?n-(1-(4-(difluoromethoxy)phenyl)ethyl)-2-(4-ox...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(OC(F)F)cc1 |r| Show InChI InChI=1S/C18H16F2N4O3/c1-11(12-6-8-13(9-7-12)27-18(19)20)21-16(25)10-24-17(26)14-4-2-3-5-15(14)22-23-24/h2-9,11,18H,10H2,1H3,(H,21,25)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	677	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))	BDBM50566743 (CHEMBL4847108) Show SMILES C[C@H](NC(=O)C(C)n1nnc2ccccc2c1=O)c1ccc(C)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	714	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))	BDBM263465 ((s)-2-(8-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...) Show SMILES COc1cccc2c1nnn(CC(=O)N[C@@H](C)c1ccc(C)cc1)c2=O |r| Show InChI InChI=1S/C19H20N4O3/c1-12-7-9-14(10-8-12)13(2)20-17(24)11-23-19(25)15-5-4-6-16(26-3)18(15)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	791	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))	BDBM263510 ((s)?n-(1-(4-methoxyphenyl)propan-2-yl)-2-(4-oxoben...) Show SMILES COc1ccc(C[C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)cc1 |r| Show InChI InChI=1S/C19H20N4O3/c1-13(11-14-7-9-15(26-2)10-8-14)20-18(24)12-23-19(25)16-5-3-4-6-17(16)21-22-23/h3-10,13H,11-12H2,1-2H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	802	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))	BDBM50566744 (CHEMBL4871506) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)C(C)n1nnc2ccccc2c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	869	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))	BDBM263435 ((s)?n-(1-(4-ethoxyphenyl)ethyl)-2-(4-oxobenzo[d][1...) Show SMILES CCOc1ccc(cc1)[C@H](C)NC(=O)Cn1nnc2ccccc2c1=O |r| Show InChI InChI=1S/C19H20N4O3/c1-3-26-15-10-8-14(9-11-15)13(2)20-18(24)12-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-11,13H,3,12H2,1-2H3,(H,20,24)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	953	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))	BDBM263433 ((s)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-...) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1C |r| Show InChI InChI=1S/C18H18N4O2/c1-12-7-3-4-8-14(12)13(2)19-17(23)11-22-18(24)15-9-5-6-10-16(15)20-21-22/h3-10,13H,11H2,1-2H3,(H,19,23)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.15E+3	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))	BDBM50566728 (CHEMBL4866435) Show SMILES Clc1ccccc1CCNC(=O)Cn1nnc2ccccc2c1=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+3	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))	BDBM50566752 (CHEMBL4874147) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc2ccccc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.16E+3	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))	BDBM263505 (US10561662, Example 74 | US11173161, EX 74 | US955...) Show SMILES Clc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)cc1 Show InChI InChI=1S/C17H15ClN4O2/c18-13-7-5-12(6-8-13)9-10-19-16(23)11-22-17(24)14-3-1-2-4-15(14)20-21-22/h1-8H,9-11H2,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.24E+3	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))	BDBM263385 ((s)?n-(1-(4-methoxyphenyl)ethyl)-2-(4-oxobenzo[d][...) Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)Cn1nnc2ccccc2c1=O |r| Show InChI InChI=1S/C18H18N4O3/c1-12(13-7-9-14(25-2)10-8-13)19-17(23)11-22-18(24)15-5-3-4-6-16(15)20-21-22/h3-10,12H,11H2,1-2H3,(H,19,23)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.36E+3	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))	BDBM263483 ((s)?n-(1-(2-methoxy-4-methylphenyl)ethyl)-2-(4-oxo...) Show SMILES COc1cc(C)ccc1[C@H](C)NC(=O)Cn1nnc2ccccc2c1=O |r| Show InChI InChI=1S/C19H20N4O3/c1-12-8-9-14(17(10-12)26-3)13(2)20-18(24)11-23-19(25)15-6-4-5-7-16(15)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	1.56E+3	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))	BDBM50566738 (CHEMBL4861019) Show SMILES C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.62E+3	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))	BDBM263506 (US10561662, Example 75 | US11173161, EX 75 | US955...) Show SMILES Clc1cccc(CCNC(=O)Cn2nnc3ccccc3c2=O)c1 Show InChI InChI=1S/C17H15ClN4O2/c18-13-5-3-4-12(10-13)8-9-19-16(23)11-22-17(24)14-6-1-2-7-15(14)20-21-22/h1-7,10H,8-9,11H2,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.69E+3	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))	BDBM50566756 (CHEMBL4855076) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(nc1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.91E+3	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))	BDBM50566736 (CHEMBL4874254) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.27E+3	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))	BDBM263437 ((s)?n-(1-(2,4-dimethoxyphenyl)ethyl)-2-(4-oxobenzo...) Show SMILES COc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)c(OC)c1 |r| Show InChI InChI=1S/C19H20N4O4/c1-12(14-9-8-13(26-2)10-17(14)27-3)20-18(24)11-23-19(25)15-6-4-5-7-16(15)21-22-23/h4-10,12H,11H2,1-3H3,(H,20,24)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.64E+3	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))	BDBM50566735 (CHEMBL4860510) Show SMILES CC(NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.82E+3	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))	BDBM50566729 (CHEMBL1380104) Show SMILES COc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.28E+3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296942 (16-(Pyridin-3-ylmethylidene)-17beta-hydroxy-4-meth...) Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29| Show InChI InChI=1S/C25H32N2O2/c1-24-11-9-22(28)27(3)21(24)7-6-18-19(24)8-10-25(2)20(18)14-17(23(25)29)13-16-5-4-12-26-15-16/h4-5,9,11-13,15,18-21,23,29H,6-8,10,14H2,1-3H3/b17-13+/t18-,19+,20+,21-,23+,24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERG potassium channel				J Med Chem 52: 4578-81 (2009) Article DOI: 10.1021/jm900880r BindingDB Entry DOI: 10.7270/Q2K35TPQ
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 139 (Homo sapiens (Human))	BDBM50566755 (CHEMBL4857947) Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(cn1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.33E+3	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))	BDBM263508 ((r)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(2-...) Show SMILES C[C@@H](CNC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 |r| Show InChI InChI=1S/C18H18N4O2/c1-13(14-7-3-2-4-8-14)11-19-17(23)12-22-18(24)15-9-5-6-10-16(15)20-21-22/h2-10,13H,11-12H2,1H3,(H,19,23)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.45E+3	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

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