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Compile Data Set for Download or QSAR

Found 496 hits of ic50 data for polymerid = 11220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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=1S/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/an/an/a



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...


Citation and Details
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=1S/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/an/an/a



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...


Citation and Details
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=1S/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/an/an/a



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...


Citation and Details
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=1S/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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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...


Citation and Details
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/an/an/a



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...


Citation and Details
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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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...


Citation and Details
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=1S/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/an/an/a



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...


Citation and Details
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=1S/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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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...


Citation and Details
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=1S/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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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...


Citation and Details
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=1S/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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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...


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345056
PNG
(2-(6-(3-((dimethylamino)methyl)phenyl)-2-(4-fluoro...)
Show SMILES COc1cc(ccc1F)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C29H31FN4O3/c1-18(2)31-27(35)17-34-28(22-9-11-24(30)26(15-22)37-5)32-25-12-10-21(14-23(25)29(34)36)20-8-6-7-19(13-20)16-33(3)4/h6-15,18H,16-17H2,1-5H3,(H,31,35)
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MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...


Bioorg Med Chem Lett 21: 3813-7 (2011)

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=1S/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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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...


Citation and Details
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=1S/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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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...


Citation and Details
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=1S/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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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...


Citation and Details
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=1S/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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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...


Citation and Details
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=1S/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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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...


Citation and Details
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=1S/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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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345045
PNG
(CHEMBL1778950 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C32H36N4O3/c1-22(2)33-30(37)21-36-31(26-11-8-12-27(18-26)39-3)34-29-14-13-25(19-28(29)32(36)38)24-10-7-9-23(17-24)20-35-15-5-4-6-16-35/h7-14,17-19,22H,4-6,15-16,20-21H2,1-3H3,(H,33,37)
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MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...


Bioorg Med Chem Lett 21: 3813-7 (2011)

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...


Citation and Details
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

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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...


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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=1S/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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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
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...


Citation and Details
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

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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...


Citation and Details
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=1S/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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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...


Citation and Details
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
Show InChI InChI=1S/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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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
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
Show InChI InChI=1S/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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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
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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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
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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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416630
PNG
(CHEMBL1223545)
Show SMILES CC(C)(C)NC(=O)Cn1c(cn2cc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H35ClN4O3/c1-27(2,3)29-25(33)19-32-24(20-9-7-10-21(28)15-20)18-31-17-22(16-23(31)26(32)34)35-14-8-13-30-11-5-4-6-12-30/h7,9-10,15-18H,4-6,8,11-14,19H2,1-3H3,(H,29,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)

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=1S/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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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
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=1S/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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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
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=1S/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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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...


Citation and Details
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=1S/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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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
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=1S/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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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...


Citation and Details
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=1S/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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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...


Citation and Details
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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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...


Citation and Details
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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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260342
PNG
(US9522914, D-31)
Show SMILES CC(C)(C)NC(=O)Cc1nn(-c2ccc(CCN3C4CCC3COC4)cc2)c(=O)n1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C28H33ClFN5O3/c1-28(2,3)31-26(36)15-25-32-35(27(37)34(25)20-10-11-24(30)23(29)14-20)19-6-4-18(5-7-19)12-13-33-21-8-9-22(33)17-38-16-21/h4-7,10-11,14,21-22H,8-9,12-13,15-17H2,1-3H3,(H,31,36)
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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260342
PNG
(US9522914, D-31)
Show SMILES CC(C)(C)NC(=O)Cc1nn(-c2ccc(CCN3C4CCC3COC4)cc2)c(=O)n1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C28H33ClFN5O3/c1-28(2,3)31-26(36)15-25-32-35(27(37)34(25)20-10-11-24(30)23(29)14-20)19-6-4-18(5-7-19)12-13-33-21-8-9-22(33)17-38-16-21/h4-7,10-11,14,21-22H,8-9,12-13,15-17H2,1-3H3,(H,31,36)
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TAISHO PHARMACEUTICAL CO., LTD

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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338810
PNG
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
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MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50338810
PNG
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
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n/an/a 3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260219
PNG
(US9522914, A-21)
Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2CCC(C)C2)cc1
Show InChI InChI=1S/C28H35FN4O2/c1-19(2)30-27(34)18-33-17-25(31-28(33)23-9-10-24(29)26(15-23)35-4)22-7-5-21(6-8-22)12-14-32-13-11-20(3)16-32/h5-10,15,17,19-20H,11-14,16,18H2,1-4H3,(H,30,34)
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n/an/a 3.20n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260219
PNG
(US9522914, A-21)
Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2CCC(C)C2)cc1
Show InChI InChI=1S/C28H35FN4O2/c1-19(2)30-27(34)18-33-17-25(31-28(33)23-9-10-24(29)26(15-23)35-4)22-7-5-21(6-8-22)12-14-32-13-11-20(3)16-32/h5-10,15,17,19-20H,11-14,16,18H2,1-4H3,(H,30,34)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260345
PNG
(US9522914, D-34)
Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cn2)c(=O)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN6O3/c1-17(2)30-26(35)13-25-31-34(27(36)33(25)21-6-4-5-20(28)12-21)24-10-7-19(14-29-24)11-18(3)32-22-8-9-23(32)16-37-15-22/h4-7,10,12,14,17-18,22-23H,8-9,11,13,15-16H2,1-3H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260253
PNG
(US9522914, B-06)
Show SMILES COc1cc(ccc1F)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CCN2C3CCC2COC3)cn1
Show InChI InChI=1S/C27H33FN6O3/c1-17(2)30-25(35)14-34-27(19-5-8-22(28)24(12-19)36-3)31-26(32-34)23-9-4-18(13-29-23)10-11-33-20-6-7-21(33)16-37-15-20/h4-5,8-9,12-13,17,20-21H,6-7,10-11,14-16H2,1-3H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260345
PNG
(US9522914, D-34)
Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cn2)c(=O)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN6O3/c1-17(2)30-26(35)13-25-31-34(27(36)33(25)21-6-4-5-20(28)12-21)24-10-7-19(14-29-24)11-18(3)32-22-8-9-23(32)16-37-15-22/h4-7,10,12,14,17-18,22-23H,8-9,11,13,15-16H2,1-3H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260334
PNG
(US9522914, D-23)
Show SMILES COc1cc(ccc1CCN1C2CCC1COC2)-n1nc(CC(=O)NC(C)C)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C28H34ClN5O4/c1-18(2)30-27(35)15-26-31-34(28(36)33(26)21-6-4-5-20(29)13-21)22-8-7-19(25(14-22)37-3)11-12-32-23-9-10-24(32)17-38-16-23/h4-8,13-14,18,23-24H,9-12,15-17H2,1-3H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM260334
PNG
(US9522914, D-23)
Show SMILES COc1cc(ccc1CCN1C2CCC1COC2)-n1nc(CC(=O)NC(C)C)n(-c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C28H34ClN5O4/c1-18(2)30-27(35)15-26-31-34(28(36)33(26)21-6-4-5-20(29)13-21)22-8-7-19(25(14-22)37-3)11-12-32-23-9-10-24(32)17-38-16-23/h4-8,13-14,18,23-24H,9-12,15-17H2,1-3H3,(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...


Citation and Details
More data for this
Ligand-Target Pair
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