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Compile Data Set for Download or QSAR

Found 1854 hits with Last Name = 'hitchcock' and Initial = 's'   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50156455
PNG
((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12
Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1
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0.0340n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272453
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)C(=O)Nc2ccccc12
Show InChI InChI=1S/C32H34Cl2N4O4S/c33-25-14-12-23(18-26(25)34)43(41,42)38-29-10-3-2-8-28(29)36-32(40)30(38)19-31(39)35-27-9-6-7-22-17-21(11-13-24(22)27)20-37-15-4-1-5-16-37/h2-3,8,10-14,17-18,27,30H,1,4-7,9,15-16,19-20H2,(H,35,39)(H,36,40)/t27-,30-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272452
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)C(=O)Nc2ccccc12
Show InChI InChI=1S/C31H32Cl2N4O5S/c32-23-11-9-21(17-24(23)33)43(40,41)37-27-7-3-2-6-26(27)35-31(39)28(37)18-30(38)34-25-12-15-42-29-16-20(8-10-22(25)29)19-36-13-4-1-5-14-36/h2-3,6-11,16-17,25,28H,1,4-5,12-15,18-19H2,(H,34,38)(H,35,39)/t25-,28-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM31592
PNG
(PF-2545920 | US9138494, MP-10 | substituted pyraz...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum


J Med Chem 55: 4776-87 (2012)


Article DOI: 10.1021/jm3002372
BindingDB Entry DOI: 10.7270/Q2WM1FFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272455
PNG
(2-((R)-3-oxo-1-(phenylsulfonyl)-1,2,3,4-tetrahydro...)
Show SMILES O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C31H34N4O5S/c36-30(32-25-15-18-40-29-19-22(13-14-24(25)29)21-34-16-7-2-8-17-34)20-28-31(37)33-26-11-5-6-12-27(26)35(28)41(38,39)23-9-3-1-4-10-23/h1,3-6,9-14,19,25,28H,2,7-8,15-18,20-21H2,(H,32,36)(H,33,37)/t25-,28-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272456
PNG
(2-((R)-3-oxo-1-tosyl-1,2,3,4-tetrahydroquinoxalin-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCOc3cc(CN4CCCCC4)ccc23)C(=O)Nc2ccccc12
Show InChI InChI=1S/C32H36N4O5S/c1-22-9-12-24(13-10-22)42(39,40)36-28-8-4-3-7-27(28)34-32(38)29(36)20-31(37)33-26-15-18-41-30-19-23(11-14-25(26)30)21-35-16-5-2-6-17-35/h3-4,7-14,19,26,29H,2,5-6,15-18,20-21H2,1H3,(H,33,37)(H,34,38)/t26-,29-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272450
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H32Cl2N4O5S/c1-18(2)16-33-17-19-7-9-21-24(11-12-41-28(21)13-19)34-29(37)15-27-30(38)35-25-5-3-4-6-26(25)36(27)42(39,40)20-8-10-22(31)23(32)14-20/h3-10,13-14,18,24,27,33H,11-12,15-17H2,1-2H3,(H,34,37)(H,35,38)/t24-,27-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272449
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H30Cl2N4O5S/c1-17(2)32-16-18-7-9-20-23(11-12-40-27(20)13-18)33-28(36)15-26-29(37)34-24-5-3-4-6-25(24)35(26)41(38,39)19-8-10-21(30)22(31)14-19/h3-10,13-14,17,23,26,32H,11-12,15-16H2,1-2H3,(H,33,36)(H,34,37)/t23-,26-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272451
PNG
(CHEMBL508043 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C30H32Cl2N4O5S/c1-30(2,3)33-17-18-8-10-20-23(12-13-41-27(20)14-18)34-28(37)16-26-29(38)35-24-6-4-5-7-25(24)36(26)42(39,40)19-9-11-21(31)22(32)15-19/h4-11,14-15,23,26,33H,12-13,16-17H2,1-3H3,(H,34,37)(H,35,38)/t23-,26-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50365964
PNG
(CHEMBL1956235 | CHEMBL2070530)
Show SMILES COc1cc2nncc(-c3cnc(NC(C)C)c(C)c3)c2cc1OC
Show InChI InChI=1S/C19H22N4O2/c1-11(2)22-19-12(3)6-13(9-20-19)15-10-21-23-16-8-18(25-5)17(24-4)7-14(15)16/h6-11H,1-5H3,(H,20,22)
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1.18n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-(6,7-dimethoxycinnolin-4-yl)-N-isopropyl-3-methylpyridin-2-amine from PDE10A in Sprague-Dawley rat striatum


J Med Chem 55: 4776-87 (2012)


Article DOI: 10.1021/jm3002372
BindingDB Entry DOI: 10.7270/Q2WM1FFG
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272447
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H26Cl2N4O5S/c1-30-15-16-6-8-18-21(10-11-38-25(18)12-16)31-26(34)14-24-27(35)32-22-4-2-3-5-23(22)33(24)39(36,37)17-7-9-19(28)20(29)13-17/h2-9,12-13,21,24,30H,10-11,14-15H2,1H3,(H,31,34)(H,32,35)/t21-,24-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272448
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES CN(C)Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H28Cl2N4O5S/c1-33(2)16-17-7-9-19-22(11-12-39-26(19)13-17)31-27(35)15-25-28(36)32-23-5-3-4-6-24(23)34(25)40(37,38)18-8-10-20(29)21(30)14-18/h3-10,13-14,22,25H,11-12,15-16H2,1-2H3,(H,31,35)(H,32,36)/t22-,25-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272454
PNG
(CHEMBL525092 | N-((R)-7-((tert-butylamino)methyl)c...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H34N4O5S/c1-30(2,3)31-19-20-13-14-22-23(15-16-39-27(22)17-20)32-28(35)18-26-29(36)33-24-11-7-8-12-25(24)34(26)40(37,38)21-9-5-4-6-10-21/h4-14,17,23,26,31H,15-16,18-19H2,1-3H3,(H,32,35)(H,33,36)/t23-,26-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272416
PNG
(CHEMBL496459 | N-((R)-7-(aminomethyl)chroman-4-yl)...)
Show SMILES NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H24Cl2N4O5S/c27-18-8-6-16(12-19(18)28)38(35,36)32-22-4-2-1-3-21(22)31-26(34)23(32)13-25(33)30-20-9-10-37-24-11-15(14-29)5-7-17(20)24/h1-8,11-12,20,23H,9-10,13-14,29H2,(H,30,33)(H,31,34)/t20-,23-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272567
PNG
(1-(4-fluorobenzyl)-N-cyclohexyl-7-methyl-4-oxo-1,4...)
Show SMILES Cc1ccc2c(n1)n(Cc1ccc(F)cc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-7-12-19-21(28)20(23(29)26-18-5-3-2-4-6-18)14-27(22(19)25-15)13-16-8-10-17(24)11-9-16/h7-12,14,18H,2-6,13H2,1H3,(H,26,29)
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5.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263478
PNG
((s)-2-(6,8-dimethyl-4-oxobenzo[d][1,2,3]triazin-3(...)
Show SMILES C[C@H](NC(=O)Cn1nnc2c(C)cc(C)cc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C20H22N4O2/c1-12-5-7-16(8-6-12)15(4)21-18(25)11-24-20(26)17-10-13(2)9-14(3)19(17)22-23-24/h5-10,15H,11H2,1-4H3,(H,21,25)/t15-/m0/s1
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10 -42.4n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263499
PNG
((s)?n-(1-(2-fluoro-4-(trifluoromethyl)phenyl)ethyl...)
Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3F)C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C19H16F4N4O3/c1-10(12-7-6-11(8-13(12)20)19(21,22)23)24-16(28)9-27-18(29)17-14(25-26-27)4-3-5-15(17)30-2/h3-8,10H,9H2,1-2H3,(H,24,28)/t10-/m0/s1
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11 -42.2n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272567
PNG
(1-(4-fluorobenzyl)-N-cyclohexyl-7-methyl-4-oxo-1,4...)
Show SMILES Cc1ccc2c(n1)n(Cc1ccc(F)cc1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-7-12-19-21(28)20(23(29)26-18-5-3-2-4-6-18)14-27(22(19)25-15)13-16-8-10-17(24)11-9-16/h7-12,14,18H,2-6,13H2,1H3,(H,26,29)
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15n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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16.4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50182221
PNG
(CHEMBL381366 | N-((R)-6-((tert-butylamino)methyl)-...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H38F3N3O3S/c1-28(2,3)33-19-20-13-14-25-21(16-20)8-6-12-26(25)34-27(36)18-23-10-4-5-15-35(23)39(37,38)24-11-7-9-22(17-24)29(30,31)32/h7,9,11,13-14,16-17,23,26,33H,4-6,8,10,12,15,18-19H2,1-3H3,(H,34,36)/t23-,26+/m0/s1
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23n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263461
PNG
((s)-2-(6,8-dichloro-4-oxobenzo[d][1,2,3]triazin-3(...)
Show SMILES C[C@H](NC(=O)Cn1nnc2c(Cl)cc(Cl)cc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H16Cl2N4O2/c1-10-3-5-12(6-4-10)11(2)21-16(25)9-24-18(26)14-7-13(19)8-15(20)17(14)22-23-24/h3-8,11H,9H2,1-2H3,(H,21,25)/t11-/m0/s1
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26 -40.2n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263493
PNG
((s)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3 (4h...)
Show SMILES COc1cccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c(=O)c12
Show InChI InChI=1S/C19H17F3N4O3/c1-11(12-6-8-13(9-7-12)19(20,21)22)23-16(27)10-26-18(28)17-14(24-25-26)4-3-5-15(17)29-2/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1
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26 -40.2n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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33 -39.7n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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33 -39.7n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263484
PNG
((s)?n-(1-(2,4-dimethylphenyl)ethyl)-2-(6-fluoro-4-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C)cc1C
Show InChI InChI=1S/C19H19FN4O2/c1-11-4-6-15(12(2)8-11)13(3)21-18(25)10-24-19(26)16-9-14(20)5-7-17(16)22-23-24/h4-9,13H,10H2,1-3H3,(H,21,25)/t13-/m0/s1
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39 -39.3n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263487
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(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H14F4N4O3/c1-10(11-2-5-13(6-3-11)29-18(20,21)22)23-16(27)9-26-17(28)14-8-12(19)4-7-15(14)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1
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42 -39.1n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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48 -38.8n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272478
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)N[C@@H]2CCOc3cc(C=O)ccc23)C(=O)Nc2ccccc12
Show InChI InChI=1S/C26H21Cl2N3O6S/c27-18-8-6-16(12-19(18)28)38(35,36)31-22-4-2-1-3-21(22)30-26(34)23(31)13-25(33)29-20-9-10-37-24-11-15(14-32)5-7-17(20)24/h1-8,11-12,14,20,23H,9-10,13H2,(H,29,33)(H,30,34)/t20-,23-/m1/s1
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57n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
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
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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58 -38.4n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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63 -38.2n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263459
PNG
((s)-2-(8-methyl-4-oxobenzo[d][1,2,3]triazin-3(4h)-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2c(C)cccc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)16-6-4-5-13(2)18(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1
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72 -37.9n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263486
PNG
((s)?n-(1-(2-fluoro-4-methylphenyl)ethyl)-2-(6-fluo...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(C)cc1F
Show InChI InChI=1S/C18H16F2N4O2/c1-10-3-5-13(15(20)7-10)11(2)21-17(25)9-24-18(26)14-8-12(19)4-6-16(14)22-23-24/h3-8,11H,9H2,1-2H3,(H,21,25)/t11-/m0/s1
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77 -37.7n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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85 -37.5n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272477
PNG
(2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...)
Show SMILES OCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H23Cl2N3O6S/c27-18-8-6-16(12-19(18)28)38(35,36)31-22-4-2-1-3-21(22)30-26(34)23(31)13-25(33)29-20-9-10-37-24-11-15(14-32)5-7-17(20)24/h1-8,11-12,20,23,32H,9-10,13-14H2,(H,29,33)(H,30,34)/t20-,23-/m1/s1
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86n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263474
PNG
((s)-2-(5-methyl-4-oxobenzo[d][1,2,3]triazin-3 (4h)...)
Show SMILES C[C@H](NC(=O)Cn1nnc2cccc(C)c2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)18-13(2)5-4-6-16(18)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1
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92 -37.3n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263503
PNG
((s)?n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethy...)
Show SMILES C[C@H](NC(=O)Cn1nnc2ccc(F)cc2c1=O)c1ccc(OC(F)(F)F)cc1F
Show InChI InChI=1S/C18H13F5N4O3/c1-9(12-4-3-11(7-14(12)20)30-18(21,22)23)24-16(28)8-27-17(29)13-6-10(19)2-5-15(13)25-26-27/h2-7,9H,8H2,1H3,(H,24,28)/t9-/m0/s1
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93 -37.3n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263496
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(cc1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O2/c1-10(11-2-4-12(5-3-11)18(20,21)22)23-16(27)9-26-17(28)14-8-13(19)6-7-15(14)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1
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106 -37.0n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263457
PNG
((s)-2-(8-chloro-4-oxobenzo[d][1,2,3]triazin-3(4h)-...)
Show SMILES C[C@H](NC(=O)Cn1nnc2c(Cl)cccc2c1=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H17ClN4O2/c1-11-6-8-13(9-7-11)12(2)20-16(24)10-23-18(25)14-4-3-5-15(19)17(14)21-22-23/h3-9,12H,10H2,1-2H3,(H,20,24)/t12-/m0/s1
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110 -36.9n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263492
PNG
((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...)
Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(cc3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C19H17F3N4O3/c1-11(12-3-5-13(6-4-12)19(20,21)22)23-17(27)10-26-18(28)15-9-14(29-2)7-8-16(15)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1
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115 -36.8n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263509
PNG
(US9556130, test 81 | n-(2-chloro-4-methoxyphenethy...)
Show SMILES COc1ccc(CCNC(=O)Cn2nnc3ccccc3c2=O)c(Cl)c1
Show InChI InChI=1S/C18H17ClN4O3/c1-26-13-7-6-12(15(19)10-13)8-9-20-17(24)11-23-18(25)14-4-2-3-5-16(14)21-22-23/h2-7,10H,8-9,11H2,1H3,(H,20,24)
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117 -36.8n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
Show InChI InChI=1S/C24H30N4OS2/c29-24(22-6-3-17-30-22)25-19-9-7-18(8-10-19)11-12-27-13-15-28(16-14-27)23-20-4-1-2-5-21(20)31-26-23/h1-6,17-19H,7-16H2,(H,25,29)
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119 -36.7n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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120 -36.7n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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120 -36.7n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
G-protein coupled receptor 139


(Homo sapiens (Human))
BDBM263489
PNG
((s)-2-(6-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4h)...)
Show SMILES COc1ccc2nnn(CC(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)c(=O)c2c1
Show InChI InChI=1S/C19H17F3N4O4/c1-11(12-3-5-13(6-4-12)30-19(20,21)22)23-17(27)10-26-18(28)15-9-14(29-2)7-8-16(15)24-25-26/h3-9,11H,10H2,1-2H3,(H,23,27)/t11-/m0/s1
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128 -36.6n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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148 -36.2n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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152 -36.2n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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
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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171 -35.9n/an/an/an/an/a7.44



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
This membrane based assay measures the ability of compounds to competitively bind GPR139 in stably transfected CHO-TRex membranes. CHO-TRex (Life Tec...


US Patent US9556130 (2017)


Article DOI: 10.1021/jm058205b
More data for this
Ligand-Target Pair
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