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Compile Data Set for Download or QSAR

Found 453 hits with Last Name = 'ishizaka' and Initial = 't'   
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
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260242
PNG
(US9522914, A-44)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CC(C)N2CCOCC2)cc1
Show InChI InChI=1/C27H33ClN4O2/c1-19(2)29-26(33)18-32-17-25(30-27(32)23-5-4-6-24(28)16-23)22-9-7-21(8-10-22)15-20(3)31-11-13-34-14-12-31/h4-10,16-17,19-20H,11-15,18H2,1-3H3,(H,29,33)
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n/an/a 0.160n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260242
PNG
(US9522914, A-44)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CC(C)N2CCOCC2)cc1
Show InChI InChI=1/C27H33ClN4O2/c1-19(2)29-26(33)18-32-17-25(30-27(32)23-5-4-6-24(28)16-23)22-9-7-21(8-10-22)15-20(3)31-11-13-34-14-12-31/h4-10,16-17,19-20H,11-15,18H2,1-3H3,(H,29,33)
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n/an/a 0.160n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222831
PNG
(CHEMBL401132 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H22ClF3N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-8-9-12)25-17(27)13-6-5-7-14(15(13)21)20(22,23)24/h5-7,12H,8-10H2,1-4H3/b25-18-
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n/an/a 0.410n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260267
PNG
(US9522914, B-20)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CC(C)N2C3CCC2COC3)cc1
Show InChI InChI=1/C29H37N5O3/c1-19(2)30-27(35)16-33-29(23-6-5-7-26(15-23)36-4)31-28(32-33)22-10-8-21(9-11-22)14-20(3)34-24-12-13-25(34)18-37-17-24/h5-11,15,19-20,24-25H,12-14,16-18H2,1-4H3,(H,30,35)
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n/an/a 0.430n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260267
PNG
(US9522914, B-20)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CC(C)N2C3CCC2COC3)cc1
Show InChI InChI=1/C29H37N5O3/c1-19(2)30-27(35)16-33-29(23-6-5-7-26(15-23)36-4)31-28(32-33)22-10-8-21(9-11-22)14-20(3)34-24-12-13-25(34)18-37-17-24/h5-11,15,19-20,24-25H,12-14,16-18H2,1-4H3,(H,30,35)
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n/an/a 0.430n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260241
PNG
(US9522914, A-43)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2CCOCC2)cc1F
Show InChI InChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)20-4-3-5-21(27)15-20)22-7-6-19(14-23(22)28)8-9-31-10-12-34-13-11-31/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,29,33)
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n/an/a 0.490n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260241
PNG
(US9522914, A-43)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2CCOCC2)cc1F
Show InChI InChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)20-4-3-5-21(27)15-20)22-7-6-19(14-23(22)28)8-9-31-10-12-34-13-11-31/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,29,33)
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n/an/a 0.490n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222845
PNG
(CHEMBL247830 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(s\c(=N/C(=O)c2ccccc2C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F3N2OS/c1-12-16(19(2,3)4)27-18(25(12)11-13-9-10-13)24-17(26)14-7-5-6-8-15(14)20(21,22)23/h5-8,13H,9-11H2,1-4H3/b24-18-
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Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260347
PNG
(US9522914, D-36)
Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cc2)c(=O)n1-c1ccc(F)c(Cl)c1
Show InChI InChI=1/C28H33ClFN5O3/c1-17(2)31-27(36)14-26-32-35(28(37)34(26)21-10-11-25(30)24(29)13-21)20-6-4-19(5-7-20)12-18(3)33-22-8-9-23(33)16-38-15-22/h4-7,10-11,13,17-18,22-23H,8-9,12,14-16H2,1-3H3,(H,31,36)
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n/an/a 0.610n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260347
PNG
(US9522914, D-36)
Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cc2)c(=O)n1-c1ccc(F)c(Cl)c1
Show InChI InChI=1/C28H33ClFN5O3/c1-17(2)31-27(36)14-26-32-35(28(37)34(26)21-10-11-25(30)24(29)13-21)20-6-4-19(5-7-20)12-18(3)33-22-8-9-23(33)16-38-15-22/h4-7,10-11,13,17-18,22-23H,8-9,12,14-16H2,1-3H3,(H,31,36)
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n/an/a 0.610n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21311
PNG
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)
Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3
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n/an/a 0.770n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/a 0.820n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260206
PNG
(US9522914, A-08)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1/C28H33ClN4O2/c1-19(2)30-27(34)16-32-15-26(31-28(32)22-4-3-5-23(29)14-22)21-8-6-20(7-9-21)12-13-33-24-10-11-25(33)18-35-17-24/h3-9,14-15,19,24-25H,10-13,16-18H2,1-2H3,(H,30,34)
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n/an/a 0.820n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260206
PNG
(US9522914, A-08)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1/C28H33ClN4O2/c1-19(2)30-27(34)16-32-15-26(31-28(32)22-4-3-5-23(29)14-22)21-8-6-20(7-9-21)12-13-33-24-10-11-25(33)18-35-17-24/h3-9,14-15,19,24-25H,10-13,16-18H2,1-2H3,(H,30,34)
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n/an/a 0.820n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260237
PNG
(US9522914, A-39)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1ccc(F)c(Cl)c1)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)21-7-8-23(28)22(27)15-21)20-5-3-19(4-6-20)9-10-31-11-13-34-14-12-31/h3-8,15-16,18H,9-14,17H2,1-2H3,(H,29,33)
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n/an/a 1n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260237
PNG
(US9522914, A-39)
Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1ccc(F)c(Cl)c1)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)21-7-8-23(28)22(27)15-21)20-5-3-19(4-6-20)9-10-31-11-13-34-14-12-31/h3-8,15-16,18H,9-14,17H2,1-2H3,(H,29,33)
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n/an/a 1n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375384
PNG
(CHEMBL263913)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCCC1)C(C)(C)C
Show InChI InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3/b27-18+
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222841
PNG
((Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(Br)c2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H23BrN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-8-9-13)21-17(23)14-6-5-7-15(20)10-14/h5-7,10,13H,8-9,11H2,1-4H3/b21-18-
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Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222834
PNG
(CHEMBL398713 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES COc1ccc(cc1C(=O)\N=c1/sc(c(C)n1CC1CC1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C21H25F3N2O2S/c1-12-17(20(2,3)4)29-19(26(12)11-13-6-7-13)25-18(27)15-10-14(21(22,23)24)8-9-16(15)28-5/h8-10,13H,6-7,11H2,1-5H3/b25-19-
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Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50375382
PNG
(CHEMBL410014)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat spleen membrane


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260248
PNG
(US9522914, B-01)
Show SMILES CC(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1/C27H32ClN5O2/c1-18(2)29-25(34)15-33-27(21-4-3-5-22(28)14-21)30-26(31-33)20-8-6-19(7-9-20)12-13-32-23-10-11-24(32)17-35-16-23/h3-9,14,18,23-24H,10-13,15-17H2,1-2H3,(H,29,34)
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n/an/a 1.40n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260248
PNG
(US9522914, B-01)
Show SMILES CC(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1/C27H32ClN5O2/c1-18(2)29-25(34)15-33-27(21-4-3-5-22(28)14-21)30-26(31-33)20-8-6-19(7-9-20)12-13-32-23-10-11-24(32)17-35-16-23/h3-9,14,18,23-24H,10-13,15-17H2,1-2H3,(H,29,34)
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n/an/a 1.40n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260264
PNG
(US9522914, B-17)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1/C28H35N5O3/c1-19(2)29-26(34)16-33-28(22-5-4-6-25(15-22)35-3)30-27(31-33)21-9-7-20(8-10-21)13-14-32-23-11-12-24(32)18-36-17-23/h4-10,15,19,23-24H,11-14,16-18H2,1-3H3,(H,29,34)
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n/an/a 1.40n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260264
PNG
(US9522914, B-17)
Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1/C28H35N5O3/c1-19(2)29-26(34)16-33-28(22-5-4-6-25(15-22)35-3)30-27(31-33)21-9-7-20(8-10-21)13-14-32-23-11-12-24(32)18-36-17-23/h4-10,15,19,23-24H,11-14,16-18H2,1-3H3,(H,29,34)
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n/an/a 1.40n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260329
PNG
(US9522914, D-18)
Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cc2)c(=O)n1-c1cccc(Cl)c1
Show InChI InChI=1/C28H34ClN5O3/c1-18(2)30-27(35)15-26-31-34(28(36)33(26)23-6-4-5-21(29)14-23)22-9-7-20(8-10-22)13-19(3)32-24-11-12-25(32)17-37-16-24/h4-10,14,18-19,24-25H,11-13,15-17H2,1-3H3,(H,30,35)
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n/an/a 1.5n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260329
PNG
(US9522914, D-18)
Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cc2)c(=O)n1-c1cccc(Cl)c1
Show InChI InChI=1/C28H34ClN5O3/c1-18(2)30-27(35)15-26-31-34(28(36)33(26)23-6-4-5-21(29)14-23)22-9-7-20(8-10-22)13-19(3)32-24-11-12-25(32)17-37-16-24/h4-10,14,18-19,24-25H,11-13,15-17H2,1-3H3,(H,30,35)
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n/an/a 1.5n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375385
PNG
(CHEMBL264154)
Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCC1)C(C)(C)C
Show InChI InChI=1S/C21H25F4N3O/c1-20(2,3)16-11-17(28(27(16)4)12-13-7-5-8-13)26-19(29)14-9-6-10-15(18(14)22)21(23,24)25/h6,9-11,13H,5,7-8,12H2,1-4H3/b26-17+
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n/an/a 1.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222832
PNG
(CHEMBL248386 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(sc(=NC(=O)c2cc(ccc2C)C(F)(F)F)n1CC1CC1)C(C)(C)C |w:5.5|
Show InChI InChI=1S/C21H25F3N2OS/c1-12-6-9-15(21(22,23)24)10-16(12)18(27)25-19-26(11-14-7-8-14)13(2)17(28-19)20(3,4)5/h6,9-10,14H,7-8,11H2,1-5H3
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Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222833
PNG
(CHEMBL555610 | N-(5-tert-butyl-3-(cyclopropylmethy...)
Show SMILES Cc1c(s\c(=N/C(=O)c2cc(ccc2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C20H22ClF3N2OS/c1-11-16(19(2,3)4)28-18(26(11)10-12-5-6-12)25-17(27)14-9-13(20(22,23)24)7-8-15(14)21/h7-9,12H,5-6,10H2,1-4H3/b25-18-
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Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260308
PNG
(US9522914, C-19)
Show SMILES CC(C)NC(=O)Cn1c(cn(-c2ccc(CCN3CCOCC3)cc2)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O3/c1-19(2)28-25(32)18-31-24(21-4-3-5-22(27)16-21)17-30(26(31)33)23-8-6-20(7-9-23)10-11-29-12-14-34-15-13-29/h3-9,16-17,19H,10-15,18H2,1-2H3,(H,28,32)
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n/an/a 2.20n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260256
PNG
(US9522914, B-09)
Show SMILES CC(C)(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cn1
Show InChI InChI=1/C27H33ClN6O2/c1-27(2,3)31-24(35)15-34-26(19-5-4-6-20(28)13-19)30-25(32-34)23-10-7-18(14-29-23)11-12-33-21-8-9-22(33)17-36-16-21/h4-7,10,13-14,21-22H,8-9,11-12,15-17H2,1-3H3,(H,31,35)
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n/an/a 2.20n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260256
PNG
(US9522914, B-09)
Show SMILES CC(C)(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cn1
Show InChI InChI=1/C27H33ClN6O2/c1-27(2,3)31-24(35)15-34-26(19-5-4-6-20(28)13-19)30-25(32-34)23-10-7-18(14-29-23)11-12-33-21-8-9-22(33)17-36-16-21/h4-7,10,13-14,21-22H,8-9,11-12,15-17H2,1-3H3,(H,31,35)
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n/an/a 2.20n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260249
PNG
(US9522914, B-02)
Show SMILES CC(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C25H30ClN5O2/c1-18(2)27-23(32)17-31-25(21-4-3-5-22(26)16-21)28-24(29-31)20-8-6-19(7-9-20)10-11-30-12-14-33-15-13-30/h3-9,16,18H,10-15,17H2,1-2H3,(H,27,32)
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n/an/a 2.20n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260308
PNG
(US9522914, C-19)
Show SMILES CC(C)NC(=O)Cn1c(cn(-c2ccc(CCN3CCOCC3)cc2)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O3/c1-19(2)28-25(32)18-31-24(21-4-3-5-22(27)16-21)17-30(26(31)33)23-8-6-20(7-9-23)10-11-29-12-14-34-15-13-29/h3-9,16-17,19H,10-15,18H2,1-2H3,(H,28,32)
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TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260249
PNG
(US9522914, B-02)
Show SMILES CC(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C25H30ClN5O2/c1-18(2)27-23(32)17-31-25(21-4-3-5-22(26)16-21)28-24(29-31)20-8-6-19(7-9-20)10-11-30-12-14-33-15-13-30/h3-9,16,18H,10-15,17H2,1-2H3,(H,27,32)
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TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50222844
PNG
(CHEMBL248015 | N-(5-tert-butyl-3-(2-ethoxyethyl)-4...)
Show SMILES CCOCCn1c(C)c(s\c1=N/C(=O)c1cccc(c1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C20H25F3N2O2S/c1-6-27-11-10-25-13(2)16(19(3,4)5)28-18(25)24-17(26)14-8-7-9-15(12-14)20(21,22)23/h7-9,12H,6,10-11H2,1-5H3/b24-18-
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n/an/a 2.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 form human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.004
BindingDB Entry DOI: 10.7270/Q2PG1SJQ
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260213
PNG
(US9522914, A-15)
Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2C3CCC2CC(O)C3)cc1 |THB:34:33:27:29.30|
Show InChI InChI=1/C30H37FN4O3/c1-19(2)32-29(37)18-34-17-27(33-30(34)22-8-11-26(31)28(14-22)38-3)21-6-4-20(5-7-21)12-13-35-23-9-10-24(35)16-25(36)15-23/h4-8,11,14,17,19,23-25,36H,9-10,12-13,15-16,18H2,1-3H3,(H,32,37)
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n/an/a 2.40n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260213
PNG
(US9522914, A-15)
Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2C3CCC2CC(O)C3)cc1 |THB:34:33:27:29.30|
Show InChI InChI=1/C30H37FN4O3/c1-19(2)32-29(37)18-34-17-27(33-30(34)22-8-11-26(31)28(14-22)38-3)21-6-4-20(5-7-21)12-13-35-23-9-10-24(35)16-25(36)15-23/h4-8,11,14,17,19,23-25,36H,9-10,12-13,15-16,18H2,1-3H3,(H,32,37)
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n/an/a 2.40n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260316
PNG
(US9522914, D-05)
Show SMILES COc1cc(ccc1F)-n1c(CC(=O)NC(C)(C)C)nn(-c2ccc(CCN3CCOCC3)cc2)c1=O
Show InChI InChI=1S/C27H34FN5O4/c1-27(2,3)29-25(34)18-24-30-33(26(35)32(24)21-9-10-22(28)23(17-21)36-4)20-7-5-19(6-8-20)11-12-31-13-15-37-16-14-31/h5-10,17H,11-16,18H2,1-4H3,(H,29,34)
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n/an/a 2.5n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260316
PNG
(US9522914, D-05)
Show SMILES COc1cc(ccc1F)-n1c(CC(=O)NC(C)(C)C)nn(-c2ccc(CCN3CCOCC3)cc2)c1=O
Show InChI InChI=1S/C27H34FN5O4/c1-27(2,3)29-25(34)18-24-30-33(26(35)32(24)21-9-10-22(28)23(17-21)36-4)20-7-5-19(6-8-20)11-12-31-13-15-37-16-14-31/h5-10,17H,11-16,18H2,1-4H3,(H,29,34)
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n/an/a 2.5n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260220
PNG
(US9522914, A-22)
Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1/C29H35FN4O3/c1-19(2)31-28(35)16-33-15-26(32-29(33)22-8-11-25(30)27(14-22)36-3)21-6-4-20(5-7-21)12-13-34-23-9-10-24(34)18-37-17-23/h4-8,11,14-15,19,23-24H,9-10,12-13,16-18H2,1-3H3,(H,31,35)
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n/an/a 2.60n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260220
PNG
(US9522914, A-22)
Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2C3CCC2COC3)cc1
Show InChI InChI=1/C29H35FN4O3/c1-19(2)31-28(35)16-33-15-26(32-29(33)22-8-11-25(30)27(14-22)36-3)21-6-4-20(5-7-21)12-13-34-23-9-10-24(34)18-37-17-23/h4-8,11,14-15,19,23-24H,9-10,12-13,16-18H2,1-3H3,(H,31,35)
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n/an/a 2.60n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50375383
PNG
(CHEMBL440407)
Show SMILES CC(C)OCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C21H27F4N3O2/c1-13(2)30-11-10-28-17(12-16(27(28)6)20(3,4)5)26-19(29)14-8-7-9-15(18(14)22)21(23,24)25/h7-9,12-13H,10-11H2,1-6H3/b26-17+
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n/an/a 2.60n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem 16: 1111-24 (2008)


Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260352
PNG
(US9522914, D-41)
Show SMILES COc1cc(ccc1F)-n1c(CC(=O)NC(C)C)nn(-c2ccc(CCN3C4CCC3COC4)c(OC)c2)c1=O
Show InChI InChI=1/C29H36FN5O5/c1-18(2)31-28(36)15-27-32-35(29(37)34(27)20-9-10-24(30)26(13-20)39-4)21-6-5-19(25(14-21)38-3)11-12-33-22-7-8-23(33)17-40-16-22/h5-6,9-10,13-14,18,22-23H,7-8,11-12,15-17H2,1-4H3,(H,31,36)
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n/an/a 2.70n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260352
PNG
(US9522914, D-41)
Show SMILES COc1cc(ccc1F)-n1c(CC(=O)NC(C)C)nn(-c2ccc(CCN3C4CCC3COC4)c(OC)c2)c1=O
Show InChI InChI=1/C29H36FN5O5/c1-18(2)31-28(36)15-27-32-35(29(37)34(27)20-9-10-24(30)26(13-20)39-4)21-6-5-19(25(14-21)38-3)11-12-33-22-7-8-23(33)17-40-16-22/h5-6,9-10,13-14,18,22-23H,7-8,11-12,15-17H2,1-4H3,(H,31,36)
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n/an/a 2.70n/an/an/an/a7.44



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2WM1CB9
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260255
PNG
(US9522914, B-08)
Show SMILES CC(C)NC(=O)Cn1nc(nc1-c1ccc(F)c(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cn1
Show InChI InChI=1/C26H30ClFN6O2/c1-16(2)30-24(35)13-34-26(18-4-7-22(28)21(27)11-18)31-25(32-34)23-8-3-17(12-29-23)9-10-33-19-5-6-20(33)15-36-14-19/h3-4,7-8,11-12,16,19-20H,5-6,9-10,13-15H2,1-2H3,(H,30,35)
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TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260341
PNG
(US9522914, D-30)
Show SMILES CC(C)(C)NC(=O)Cc1nn(-c2ccc(CCN3CCOCC3)cc2)c(=O)n1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C26H31ClFN5O3/c1-26(2,3)29-24(34)17-23-30-33(25(35)32(23)20-8-9-22(28)21(27)16-20)19-6-4-18(5-7-19)10-11-31-12-14-36-15-13-31/h4-9,16H,10-15,17H2,1-3H3,(H,29,34)
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n/an/a 2.80n/an/an/an/a7.425



TAISHO PHARMACEUTICAL CO., LTD

US Patent


Assay Description
Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...


US Patent US9522914 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6PR7
More data for this
Ligand-Target Pair
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