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Compile Data Set for Download or QSAR

Found 628 hits with Last Name = 'cilia' and Initial = 'j'   
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 2B


(RAT)		BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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 1.29n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 117: 427-434 (1996)


Article DOI: 10.1111/j.1476-5381.1996.tb15208.x
BindingDB Entry DOI: 10.7270/Q27W69Q5
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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 1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor

Bioorg Med Chem Lett 11: 265-70 (2001)


BindingDB Entry DOI: 10.7270/Q2668CFZ
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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 7.30n/an/an/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for peripheral benzodiazepine receptor of rat kidney

J Med Chem 31: 2081-6 (1988)


BindingDB Entry DOI: 10.7270/Q2BK1BBK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50185057
PNG
(CHEMBL207423 | [(1S,2R,3R,4S,5S,6R)-3-[[(2S)-2,3-d...)
Show SMILES CCCC(=O)OC[C@@H](COOOP(O)(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCC
Show InChI InChI=1S/C17H32O18P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-34-35-37(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-36(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13+,14-,15+,16-,17+/m0/s1
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 7.80n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid in human AD cortical tissue

Bioorg Med Chem Lett 16: 3015-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.055
BindingDB Entry DOI: 10.7270/Q20P0ZKQ
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50122787
PNG
(2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1
Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3
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 10.3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid in human AD cortical tissue

Bioorg Med Chem Lett 16: 3015-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.055
BindingDB Entry DOI: 10.7270/Q20P0ZKQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50167898
PNG
(CHEMBL85606 | N-((1r,4r)-4-(2-(6-cyano-3,4-dihydro...)
Show SMILES O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
Show InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24?
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 10.7n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 294: 1154-65 (2000)


BindingDB Entry DOI: 10.7270/Q2K35S7G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50167898
PNG
(CHEMBL85606 | N-((1r,4r)-4-(2-(6-cyano-3,4-dihydro...)
Show SMILES O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
Show InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24?
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 11.2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 294: 1154-65 (2000)


BindingDB Entry DOI: 10.7270/Q2K35S7G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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 12.0n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 117: 427-434 (1996)


Article DOI: 10.1111/j.1476-5381.1996.tb15208.x
BindingDB Entry DOI: 10.7270/Q27W69Q5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50019100
PNG
(5-(4-Chloro-phenyl)-7-iodo-1-methyl-1,3-dihydro-be...)
Show SMILES CN1c2ccc(I)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12ClIN2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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 13n/an/an/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for peripheral benzodiazepine receptor of rat kidney

J Med Chem 31: 2081-6 (1988)


BindingDB Entry DOI: 10.7270/Q2BK1BBK
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50019101
PNG
(7-Chloro-5-(4-iodo-phenyl)-1-methyl-1,3-dihydro-be...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(I)cc1 |c:10|
Show InChI InChI=1S/C16H12ClIN2O/c1-20-14-7-4-11(17)8-13(14)16(19-9-15(20)21)10-2-5-12(18)6-3-10/h2-8H,9H2,1H3
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 14n/an/an/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Binding affinity for peripheral benzodiazepine receptor of rat kidney

J Med Chem 31: 2081-6 (1988)


BindingDB Entry DOI: 10.7270/Q2BK1BBK
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
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50185059
PNG
(6-(3'-fluoropropyl)-2-(4'-dimethylamino)phenylimid...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(CCCF)ccc2n1
Show InChI InChI=1S/C18H20FN3/c1-21(2)16-8-6-15(7-9-16)17-13-22-12-14(4-3-11-19)5-10-18(22)20-17/h5-10,12-13H,3-4,11H2,1-2H3
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 48.3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid in human AD cortical tissue

Bioorg Med Chem Lett 16: 3015-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.055
BindingDB Entry DOI: 10.7270/Q20P0ZKQ
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))		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))		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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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
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50185058
PNG
(6-(2'-fluoroethyl)-2-(4'-dimethylamino)phenylimida...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(CCF)ccc2n1
Show InChI InChI=1S/C17H18FN3/c1-20(2)15-6-4-14(5-7-15)16-12-21-11-13(9-10-18)3-8-17(21)19-16/h3-8,11-12H,9-10H2,1-2H3
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 177n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid in human AD cortical tissue

Bioorg Med Chem Lett 16: 3015-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.055
BindingDB Entry DOI: 10.7270/Q20P0ZKQ
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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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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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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50141931
PNG
((R)-[(2S,3S)-3-[4-(5-Biphenyl-4-ylmethyl-2-ethyl-2...)
Show SMILES CCn1nc(Cc2ccc(cc2)-c2ccccc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1
Show InChI InChI=1S/C42H51FN4O2/c1-2-47-40(26-38(44-47)24-30-16-18-32(19-17-30)31-10-5-3-6-11-31)33-20-22-45(23-21-33)27-36-28-46(29-39(36)35-14-9-15-37(43)25-35)41(42(48)49)34-12-7-4-8-13-34/h3,5-6,9-11,14-19,25-26,33-34,36,39,41H,2,4,7-8,12-13,20-24,27-29H2,1H3,(H,48,49)/t36-,39+,41+/m0/s1
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 400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1

Bioorg Med Chem Lett 14: 947-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.006
BindingDB Entry DOI: 10.7270/Q2F18Z5V
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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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
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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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
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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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
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


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
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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 953n/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
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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 1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 117: 427-434 (1996)


Article DOI: 10.1111/j.1476-5381.1996.tb15208.x
BindingDB Entry DOI: 10.7270/Q27W69Q5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50141911
PNG
((R)-2-[(2S,3S)-3-{4-[5-(4-Cyano-benzyl)-2-ethyl-2H...)
Show SMILES CCn1nc(Cc2ccc(cc2)C#N)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1
Show InChI InChI=1S/C35H44FN5O2/c1-5-41-32(19-30(38-41)17-24-9-11-25(20-37)12-10-24)26-13-15-39(16-14-26)21-28-22-40(33(34(42)43)35(2,3)4)23-31(28)27-7-6-8-29(36)18-27/h6-12,18-19,26,28,31,33H,5,13-17,21-23H2,1-4H3,(H,42,43)/t28-,31+,33-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1

Bioorg Med Chem Lett 14: 947-52 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.006
BindingDB Entry DOI: 10.7270/Q2F18Z5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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 1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 117: 427-434 (1996)


Article DOI: 10.1111/j.1476-5381.1996.tb15208.x
BindingDB Entry DOI: 10.7270/Q27W69Q5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50167898
PNG
(CHEMBL85606 | N-((1r,4r)-4-(2-(6-cyano-3,4-dihydro...)
Show SMILES O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
Show InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24?
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 1.05E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 294: 1154-65 (2000)


BindingDB Entry DOI: 10.7270/Q2K35S7G
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


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
PNG
(CHEMBL4866435)
Show SMILES Clc1ccccc1CCNC(=O)Cn1nnc2ccccc2c1=O
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 1.15E+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
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


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
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


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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50167898
PNG
(CHEMBL85606 | N-((1r,4r)-4-(2-(6-cyano-3,4-dihydro...)
Show SMILES O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
Show InChI InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33)/t20-,24?
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 1.29E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 294: 1154-65 (2000)


BindingDB Entry DOI: 10.7270/Q2K35S7G
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


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
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


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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