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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'schiffer' and Initial = 'hh'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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0.0300 -55.8n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139371
PNG
(eplivanserin)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
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0.0460 -54.8n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.0830 -53.5n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.440 -49.6n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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0.5 -49.3n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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0.550 -49.1n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM139371
PNG
(eplivanserin)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
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1.30 -47.1n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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1.30 -47.1n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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1.60 -46.7n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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3.80 -44.7n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM50582430
PNG
(CHEMBL4598390)
Show SMILES Fc1ccc(CN2CCN(CC2)c2nc3cnccc3nc2NC2CC2)c(F)c1
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7n/an/an/an/an/an/an/an/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
PNG
(CHEMBL4778540)
Show SMILES CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@@H]3CCOC3)nc2C1 |r|
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9.40n/an/an/an/an/an/an/an/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
PNG
(CHEMBL5093828)
Show SMILES CC(C)Nc1nc2CN(C=Cc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O |c:9|
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16n/an/an/an/an/an/an/an/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))
BDBM263504
PNG
((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
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33n/an/an/an/an/an/an/an/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
PNG
((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
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48n/an/an/an/an/an/an/an/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
PNG
((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
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58n/an/an/an/an/an/an/an/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
PNG
((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
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63n/an/an/an/an/an/an/an/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
PNG
((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
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76n/an/an/an/an/an/an/an/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
PNG
((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
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85n/an/an/an/an/an/an/an/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
PNG
((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
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119n/an/an/an/an/an/an/an/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
PNG
((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
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120n/an/an/an/an/an/an/an/a


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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
PNG
((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
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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
PNG
((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
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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
PNG
((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
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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
PNG
((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
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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
PNG
((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
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179n/an/an/an/an/an/an/an/a


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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
PNG
((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
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182n/an/an/an/an/an/an/an/a


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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
PNG
((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
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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))
BDBM263391
PNG
((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
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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))
BDBM263480
PNG
((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
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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
PNG
((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
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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
PNG
((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
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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
PNG
(CHEMBL4776509)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(Br)cc1 |r|
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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
PNG
((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
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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
PNG
(CHEMBL4847108)
Show SMILES C[C@H](NC(=O)C(C)n1nnc2ccccc2c1=O)c1ccc(C)cc1 |r|
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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
PNG
((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
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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
PNG
((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
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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
PNG
(CHEMBL4871506)
Show SMILES COc1ccc(cc1)[C@H](C)NC(=O)C(C)n1nnc2ccccc2c1=O |r|
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869n/an/an/an/an/an/an/an/a


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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
PNG
((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
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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
PNG
((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
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1.15E+3n/an/an/an/an/an/an/an/a


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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
PNG
(CHEMBL4866435)
Show SMILES Clc1ccccc1CCNC(=O)Cn1nnc2ccccc2c1=O
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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
PNG
(CHEMBL4874147)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc2ccccc12 |r|
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1.16E+3n/an/an/an/an/an/an/an/a


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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
PNG
(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)
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1.24E+3n/an/an/an/an/an/an/an/a


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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
PNG
((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
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1.36E+3n/an/an/an/an/an/an/an/a


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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
PNG
((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
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1.56E+3n/an/an/an/an/an/an/an/a


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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
PNG
(CHEMBL4861019)
Show SMILES C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 |r|
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1.62E+3n/an/an/an/an/an/an/an/a


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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
PNG
(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)
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1.69E+3n/an/an/an/an/an/an/an/a


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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
PNG
(CHEMBL4855076)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(nc1)C(F)(F)F |r|
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1.91E+3n/an/an/an/an/an/an/an/a


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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
PNG
(CHEMBL4874254)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(C)c1 |r|
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2.27E+3n/an/an/an/an/an/an/an/a


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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
PNG
((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
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2.64E+3n/an/an/an/an/an/an/an/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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