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Found 107 hits with Last Name = 'jantos' and Initial = 'k'   
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 (V1b)


(Homo sapiens (Human))
BDBM174904
PNG
(US9688678, 1A (+)-3-(2-ethoxy-5-methoxy-phenyl)-1-...)
Show SMILES CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1
Show InChI InChI=1S/C35H42N6O6S/c1-5-47-26-7-10-31(46-4)29(17-26)35(40-22-34(23-40)20-39(21-34)25-12-14-38(2)15-13-25)28-16-24(18-36)6-9-30(28)41(33(35)42)48(43,44)32-11-8-27(45-3)19-37-32/h6-11,16-17,19,25,28,30H,5,12-15,20-23H2,1-4H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175037
PNG
(US9688678, 9A (+)-3-(2-ethoxy-3-pyridyl)-1-[(5-met...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1cccnc1OC)C#N
Show InChI InChI=1S/C32H37N7O5S/c1-36-13-10-23(11-14-36)37-18-31(19-37)20-38(21-31)32(25-5-4-12-34-29(25)44-3)26-15-22(16-33)6-8-27(26)39(30(32)40)45(41,42)28-9-7-24(43-2)17-35-28/h4-9,12,15,17,23,26-27H,10-11,13-14,18-21H2,1-3H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175039
PNG
(US9688678, 11 (+)-3-(2-ethoxy-5-methoxyphenyl)-1-(...)
Show SMILES CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(CC2)C2COC2)C1
Show InChI InChI=1S/C37H44N6O7S/c1-4-50-28-6-9-33(48-3)31(16-28)37(42-23-36(24-42)21-41(22-36)26-11-13-40(14-12-26)27-19-49-20-27)30-15-25(17-38)5-8-32(30)43(35(37)44)51(45,46)34-10-7-29(47-2)18-39-34/h5-10,15-16,18,26-27,30,32H,4,11-14,19-24H2,1-3H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175054
PNG
(US9688678, 17 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-1...)
Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)N2CCN(C)CC2)C1
Show InChI InChI=1S/C34H41N7O6S/c1-5-47-30-10-7-25(45-3)17-28(30)34(38-20-33(21-38)22-40(23-33)39-14-12-37(2)13-15-39)27-16-24(18-35)6-9-29(27)41(32(34)42)48(43,44)31-11-8-26(46-4)19-36-31/h6-11,16-17,19,27,29H,5,12-15,20-23H2,1-4H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175055
PNG
(US9688678, 17B (+)-3-(2-ethoxy-5-methoxy-phenyl)-1...)
Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)N2CCN(C)CC2)C1
Show InChI InChI=1S/C34H41N7O6S/c1-5-47-30-10-7-25(45-3)17-28(30)34(38-20-33(21-38)22-40(23-33)39-14-12-37(2)13-15-39)27-16-24(18-35)6-9-29(27)41(32(34)42)48(43,44)31-11-8-26(46-4)19-36-31/h6-11,16-17,19,27,29H,5,12-15,20-23H2,1-4H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175056
PNG
(US9688678, 18 (+-)3-(2-methoxyphenyl)-1-[(5-methox...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1ccccc1OC)C#N
Show InChI InChI=1S/C33H38N6O5S/c1-36-14-12-24(13-15-36)37-19-32(20-37)21-38(22-32)33(26-6-4-5-7-29(26)44-3)27-16-23(17-34)8-10-28(27)39(31(33)40)45(41,42)30-11-9-25(43-2)18-35-30/h4-11,16,18,24,27-28H,12-15,19-22H2,1-3H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316365
PNG
(US9617226, Example 46 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES C[C@@H](NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C29H32ClF3N4O2/c1-18(29(31,32)33)34-26(38)17-37-27(21-6-5-7-23(30)14-21)35-25-9-8-20(15-24(25)28(37)39)22-12-19(13-22)16-36-10-3-2-4-11-36/h5-9,14-15,18-19,22H,2-4,10-13,16-17H2,1H3,(H,34,38)/t18-,19-,22+/m1/s1
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1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175058
PNG
(US9688678, 19 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-3...)
Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(CC2)C(C)C)C1
Show InChI InChI=1S/C37H46N6O6S/c1-6-49-33-11-8-28(47-4)18-31(33)37(42-23-36(24-42)21-41(22-36)27-13-15-40(16-14-27)25(2)3)30-17-26(19-38)7-10-32(30)43(35(37)44)50(45,46)34-12-9-29(48-5)20-39-34/h7-12,17-18,20,25,27,30,32H,6,13-16,21-24H2,1-5H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175060
PNG
(US9688678, 21 (+-)-3-(2,5-dimethoxyphenyl)-1-[(5-m...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1cc(OC)ccc1OC)C#N
Show InChI InChI=1S/C34H40N6O6S/c1-37-13-11-24(12-14-37)38-19-33(20-38)21-39(22-33)34(28-16-25(44-2)6-9-30(28)46-4)27-15-23(17-35)5-8-29(27)40(32(34)41)47(42,43)31-10-7-26(45-3)18-36-31/h5-10,15-16,18,24,27,29H,11-14,19-22H2,1-4H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175064
PNG
(US9688678, 25 (+)-3-(2-ethoxy-5-methoxy-phenyl)-1-...)
Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCNC(C)C2)C1
Show InChI InChI=1S/C35H42N6O6S/c1-5-47-31-10-7-26(45-3)16-29(31)35(40-21-34(22-40)19-39(20-34)25-12-13-37-23(2)14-25)28-15-24(17-36)6-9-30(28)41(33(35)42)48(43,44)32-11-8-27(46-4)18-38-32/h6-11,15-16,18,23,25,28,30,37H,5,12-14,19-22H2,1-4H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175212
PNG
(US9688678, 34 (3S)-1-[(5-chloro-2-pyridyl)sulfonyl...)
Show SMILES CCOc1ccc(OC)cc1[C@]1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(Cl)cn1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1
Show InChI InChI=1S/C34H39ClN6O5S/c1-4-46-30-9-7-26(45-3)16-28(30)34(40-21-33(22-40)19-39(20-33)25-11-13-38(2)14-12-25)27-15-23(17-36)5-8-29(27)41(32(34)42)47(43,44)31-10-6-24(35)18-37-31/h5-10,15-16,18,25,27,29H,4,11-14,19-22H2,1-3H3/t27?,29?,34-/m0/s1
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316327
PNG
(US9617226, Example 8 | cis-2-[2-(3-Chlorophenyl)-4...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCSCC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H33ClN4O2S/c1-18(2)30-26(34)17-33-27(21-4-3-5-23(29)14-21)31-25-7-6-20(15-24(25)28(33)35)22-12-19(13-22)16-32-8-10-36-11-9-32/h3-7,14-15,18-19,22H,8-13,16-17H2,1-2H3,(H,30,34)/t19-,22+
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316345
PNG
( cis-N-tert-Butyl-2-[2-(3-chlorophenyl)-4-oxo-6-[3...)
Show SMILES CC(C)(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H37ClN4O2/c1-30(2,3)33-27(36)19-35-28(22-8-7-9-24(31)16-22)32-26-11-10-21(17-25(26)29(35)37)23-14-20(15-23)18-34-12-5-4-6-13-34/h7-11,16-17,20,23H,4-6,12-15,18-19H2,1-3H3,(H,33,36)/t20-,23+
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175057
PNG
(US9688678, 18A (+)-3-(2-methoxyphenyl)-1-[(5-metho...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1ccccc1OC)C#N
Show InChI InChI=1S/C33H38N6O5S/c1-36-14-12-24(13-15-36)37-19-32(20-37)21-38(22-32)33(26-6-4-5-7-29(26)44-3)27-16-23(17-34)8-10-28(27)39(31(33)40)45(41,42)30-11-9-25(43-2)18-35-30/h4-11,16,18,24,27-28H,12-15,19-22H2,1-3H3
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<1<-51.4n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM174900
PNG
(US9688678, 1 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-1-...)
Show SMILES CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1
Show InChI InChI=1S/C35H42N6O6S/c1-5-47-26-7-10-31(46-4)29(17-26)35(40-22-34(23-40)20-39(21-34)25-12-14-38(2)15-13-25)28-16-24(18-36)6-9-30(28)41(33(35)42)48(43,44)32-11-8-27(45-3)19-37-32/h6-11,16-17,19,25,28,30H,5,12-15,20-23H2,1-4H3
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5.5 -47.1n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175032
PNG
(US9688678, 5 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-1-...)
Show SMILES CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cc1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1
Show InChI InChI=1S/C36H43N5O6S/c1-5-47-28-9-13-33(46-4)31(19-28)36(40-23-35(24-40)21-39(22-35)26-14-16-38(2)17-15-26)30-18-25(20-37)6-12-32(30)41(34(36)42)48(43,44)29-10-7-27(45-3)8-11-29/h6-13,18-19,26,30,32H,5,14-17,21-24H2,1-4H3
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5.5 -47.1n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175034
PNG
(US9688678, 7 (+-)-3-(2-ethoxy-4-fluoro-phenyl)-1-[...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1ccc(F)cc1OC)C#N
Show InChI InChI=1S/C33H37FN6O5S/c1-37-12-10-24(11-13-37)38-18-32(19-38)20-39(21-32)33(26-7-5-23(34)15-29(26)45-3)27-14-22(16-35)4-8-28(27)40(31(33)41)46(42,43)30-9-6-25(44-2)17-36-30/h4-9,14-15,17,24,27-28H,10-13,18-21H2,1-3H3
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5.5 -47.1n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175035
PNG
(US9688678, 8 (+-)-3-(2-ethoxyphenyl)-1-[(5-methoxy...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1ccccc1OC)C#N
Show InChI InChI=1S/C33H38N6O5S/c1-36-14-12-24(13-15-36)37-19-32(20-37)21-38(22-32)33(26-6-4-5-7-29(26)44-3)27-16-23(17-34)8-10-28(27)39(31(33)40)45(41,42)30-11-9-25(43-2)18-35-30/h4-11,16,18,24,27-28H,12-15,19-22H2,1-3H3
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5.5 -47.1n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175036
PNG
(US9688678, 9 (+-)-3-(2-ethoxy-3-pyridyl)-1-[(5-met...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1cccnc1OC)C#N
Show InChI InChI=1S/C32H37N7O5S/c1-36-13-10-23(11-14-36)37-18-31(19-37)20-38(21-31)32(25-5-4-12-34-29(25)44-3)26-15-22(16-33)6-8-27(26)39(30(32)40)45(41,42)28-9-7-24(43-2)17-35-28/h4-9,12,15,17,23,26-27H,10-11,13-14,18-21H2,1-3H3
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5.5 -47.1n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175038
PNG
(US9688678, 10 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-1...)
Show SMILES CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(CC2)C2COC2)C1
Show InChI InChI=1S/C37H44N6O7S/c1-4-50-28-6-9-33(48-3)31(16-28)37(42-23-36(24-42)21-41(22-36)26-11-13-40(14-12-26)27-19-49-20-27)30-15-25(17-38)5-8-32(30)43(35(37)44)51(45,46)34-10-7-29(47-2)18-39-34/h5-10,15-16,18,26-27,30,32H,4,11-14,19-24H2,1-3H3
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5.5 -47.1n/an/an/an/an/a7.425



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US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175059
PNG
(US9688678, 20 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-3...)
Show SMILES CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1
Show InChI InChI=1S/C35H42N6O6S/c1-5-47-26-7-10-31(46-4)29(17-26)35(40-22-34(23-40)20-39(21-34)25-12-14-38(2)15-13-25)28-16-24(18-36)6-9-30(28)41(33(35)42)48(43,44)32-11-8-27(45-3)19-37-32/h6-11,16-17,19,25,28,30H,5,12-15,20-23H2,1-4H3
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5.5 -47.1n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175061
PNG
(US9688678, 22 (+-)-3-(2-methoxy-3-pyridyl)-1-[(5-m...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1cccnc1OC)C#N
Show InChI InChI=1S/C32H37N7O5S/c1-36-13-10-23(11-14-36)37-18-31(19-37)20-38(21-31)32(25-5-4-12-34-29(25)44-3)26-15-22(16-33)6-8-27(26)39(30(32)40)45(41,42)28-9-7-24(43-2)17-35-28/h4-9,12,15,17,23,26-27H,10-11,13-14,18-21H2,1-3H3
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5.5 -47.1n/an/an/an/an/a7.425



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US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175062
PNG
(US9688678, 23 (+)-3-(2-methoxyphenyl)-1-[(5-methox...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(CC3)C3COC3)C2)(C1=O)c1ccccc1OC)C#N
Show InChI InChI=1S/C35H40N6O6S/c1-45-27-8-10-32(37-17-27)48(43,44)41-30-9-7-24(16-36)15-29(30)35(33(41)42,28-5-3-4-6-31(28)46-2)40-22-34(23-40)20-39(21-34)25-11-13-38(14-12-25)26-18-47-19-26/h3-10,15,17,25-26,29-30H,11-14,18-23H2,1-2H3
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175065
PNG
(US9688678, 26 (+-)-3-(2-methoxyphenyl)-1-[(5-metho...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)N3CCN(C)CC3)C2)(C1=O)c1ccccc1OC)C#N
Show InChI InChI=1S/C32H37N7O5S/c1-35-12-14-37(15-13-35)38-21-31(22-38)19-36(20-31)32(25-6-4-5-7-28(25)44-3)26-16-23(17-33)8-10-27(26)39(30(32)40)45(41,42)29-11-9-24(43-2)18-34-29/h4-11,16,18,26-27H,12-15,19-22H2,1-3H3
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175066
PNG
(US9688678, 27 (+-)-3-(2-ethoxy-3-pyridyl)-1-[(5-me...)
Show SMILES CCOc1ncccc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)N2CCN(C)CC2)C1
Show InChI InChI=1S/C32H38N8O5S/c1-4-45-29-25(6-5-11-34-29)32(37-19-31(20-37)21-39(22-31)38-14-12-36(2)13-15-38)26-16-23(17-33)7-9-27(26)40(30(32)41)46(42,43)28-10-8-24(44-3)18-35-28/h5-11,16,18,26-27H,4,12-15,19-22H2,1-3H3
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5.5 -47.1n/an/an/an/an/a7.425



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US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175067
PNG
(US9688678, 28 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-1...)
Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)N2CCN(CC2)C2COC2)C1
Show InChI InChI=1S/C36H43N7O7S/c1-4-50-32-9-6-27(47-2)16-30(32)36(40-21-35(22-40)23-42(24-35)41-13-11-39(12-14-41)26-19-49-20-26)29-15-25(17-37)5-8-31(29)43(34(36)44)51(45,46)33-10-7-28(48-3)18-38-33/h5-10,15-16,18,26,29,31H,4,11-14,19-24H2,1-3H3
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5.5 -47.1n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175068
PNG
(US9688678, 29 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-1...)
Show SMILES CCOc1ccc(OC)cc1C1(C2C=CC(=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1
Show InChI InChI=1S/C35H42N6O6S/c1-5-47-31-10-7-26(45-3)17-29(31)35(40-22-34(23-40)20-39(21-34)25-12-14-38(2)15-13-25)28-9-6-24(18-36)16-30(28)41(33(35)42)48(43,44)32-11-8-27(46-4)19-37-32/h6-11,16-17,19,25,28,30H,5,12-15,20-23H2,1-4H3
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5.5 -47.1n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175069
PNG
(US9688678, 30 (+-)-3-[2-(1,1-difluoroethyl)-3-pyri...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1cccnc1OC(C)(F)F)C#N
Show InChI InChI=1S/C33H37F2N7O5S/c1-31(34,35)47-29-25(5-4-12-37-29)33(41-20-32(21-41)18-40(19-32)23-10-13-39(2)14-11-23)26-15-22(16-36)6-8-27(26)42(30(33)43)48(44,45)28-9-7-24(46-3)17-38-28/h4-9,12,15,17,23,26-27H,10-11,13-14,18-21H2,1-3H3
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US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175074
PNG
(US9688678, 31 (3S)-3-(2-ethoxy-5-methoxy-phenyl)-1...)
Show SMILES CCOc1ccc(OC)cc1[C@]1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)nc1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1
Show InChI InChI=1S/C35H42N6O6S/c1-5-47-31-10-7-26(45-3)17-29(31)35(40-22-34(23-40)20-39(21-34)25-12-14-38(2)15-13-25)28-16-24(18-36)6-9-30(28)41(33(35)42)48(43,44)27-8-11-32(46-4)37-19-27/h6-11,16-17,19,25,28,30H,5,12-15,20-23H2,1-4H3/t28?,30?,35-/m0/s1
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US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175211
PNG
(US9688678, 33 (3S)-3-(2-ethoxy-5-methoxy-phenyl)-3...)
Show SMILES CCOc1ccc(OC)cc1[C@]1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccccn1)C#N)N1CC2(CN(C2)C2CCN(C)CC2)C1
Show InChI InChI=1S/C34H40N6O5S/c1-4-45-30-11-9-26(44-3)18-28(30)34(39-22-33(23-39)20-38(21-33)25-12-15-37(2)16-13-25)27-17-24(19-35)8-10-29(27)40(32(34)41)46(42,43)31-7-5-6-14-36-31/h5-11,14,17-18,25,27,29H,4,12-13,15-16,20-23H2,1-3H3/t27?,29?,34-/m0/s1
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US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316322
PNG
(US9617226, Example 2a | cis-2-[2-(3-chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H35ClN4O2/c1-19(2)31-27(35)18-34-28(22-7-6-8-24(30)15-22)32-26-10-9-21(16-25(26)29(34)36)23-13-20(14-23)17-33-11-4-3-5-12-33/h6-10,15-16,19-20,23H,3-5,11-14,17-18H2,1-2H3,(H,31,35)/t20-,23+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316329
PNG
(US9617226, Example 10 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES COC1CCN(C[C@H]2C[C@H](C2)c2ccc3nc(-c4cccc(Cl)c4)n(CC(=O)NC(C)C)c(=O)c3c2)CC1
Show InChI InChI=1S/C30H37ClN4O3/c1-19(2)32-28(36)18-35-29(22-5-4-6-24(31)15-22)33-27-8-7-21(16-26(27)30(35)37)23-13-20(14-23)17-34-11-9-25(38-3)10-12-34/h4-8,15-16,19-20,23,25H,9-14,17-18H2,1-3H3,(H,32,36)/t20-,23+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316328
PNG
(US9617226, Example 11 | US9617226, Example 9 | cis...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H33ClN4O2/c1-18(2)30-26(34)17-33-27(21-6-5-7-23(29)14-21)31-25-9-8-20(15-24(25)28(33)35)22-12-19(13-22)16-32-10-3-4-11-32/h5-9,14-15,18-19,22H,3-4,10-13,16-17H2,1-2H3,(H,30,34)/t19-,22+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316331
PNG
(US9617226, Example 12 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCC(F)(F)CC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H33ClF2N4O2/c1-18(2)33-26(37)17-36-27(21-4-3-5-23(30)14-21)34-25-7-6-20(15-24(25)28(36)38)22-12-19(13-22)16-35-10-8-29(31,32)9-11-35/h3-7,14-15,18-19,22H,8-13,16-17H2,1-2H3,(H,33,37)/t19-,22+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316332
PNG
(US9617226, Example 13 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCOCC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H33ClN4O3/c1-18(2)30-26(34)17-33-27(21-4-3-5-23(29)14-21)31-25-7-6-20(15-24(25)28(33)35)22-12-19(13-22)16-32-8-10-36-11-9-32/h3-7,14-15,18-19,22H,8-13,16-17H2,1-2H3,(H,30,34)/t19-,22+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316333
PNG
(US9617226, Example 14 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCC(C2)C#N)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H34ClN5O2/c1-19(2)33-28(37)18-36-29(23-6-3-7-25(31)13-23)34-27-9-8-22(14-26(27)30(36)38)24-11-21(12-24)17-35-10-4-5-20(15-32)16-35/h3,6-9,13-14,19-21,24H,4-5,10-12,16-18H2,1-2H3,(H,33,37)/t20?,21-,24+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316335
PNG
(US9617226, Example 16 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CC[C@H](F)C2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H32ClFN4O2/c1-17(2)31-26(35)16-34-27(20-4-3-5-22(29)12-20)32-25-7-6-19(13-24(25)28(34)36)21-10-18(11-21)14-33-9-8-23(30)15-33/h3-7,12-13,17-18,21,23H,8-11,14-16H2,1-2H3,(H,31,35)/t18-,21+,23-/m0/s1
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316337
PNG
(US9617226, Example 18 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCC=CC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H33ClN4O2/c1-19(2)31-27(35)18-34-28(22-7-6-8-24(30)15-22)32-26-10-9-21(16-25(26)29(34)36)23-13-20(14-23)17-33-11-4-3-5-12-33/h3-4,6-10,15-16,19-20,23H,5,11-14,17-18H2,1-2H3,(H,31,35)/t20-,23+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316338
PNG
(US9617226, Example 19 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CC(F)C2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H30ClFN4O2/c1-16(2)30-25(34)15-33-26(19-4-3-5-21(28)10-19)31-24-7-6-18(11-23(24)27(33)35)20-8-17(9-20)12-32-13-22(29)14-32/h3-7,10-11,16-17,20,22H,8-9,12-15H2,1-2H3,(H,30,34)/t17-,20+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316340
PNG
( cis-2-[6-[3-(Azepan-1-ylmethyl)cyclobutyl]-2-(3-c...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCCC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H37ClN4O2/c1-20(2)32-28(36)19-35-29(23-8-7-9-25(31)16-23)33-27-11-10-22(17-26(27)30(35)37)24-14-21(15-24)18-34-12-5-3-4-6-13-34/h7-11,16-17,20-21,24H,3-6,12-15,18-19H2,1-2H3,(H,32,36)/t21-,24+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316341
PNG
(US9617226, Example 22 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCC(C)CC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H37ClN4O2/c1-19(2)32-28(36)18-35-29(23-5-4-6-25(31)15-23)33-27-8-7-22(16-26(27)30(35)37)24-13-21(14-24)17-34-11-9-20(3)10-12-34/h4-8,15-16,19-21,24H,9-14,17-18H2,1-3H3,(H,32,36)/t21-,24+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316342
PNG
( cis-2-[2-(3-Chlorophenyl)-6-[3-[(3-hydroxy-8-azab...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2C3CCC2CC(O)C3)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C31H37ClN4O3/c1-18(2)33-29(38)17-36-30(21-4-3-5-23(32)12-21)34-28-9-6-20(13-27(28)31(36)39)22-10-19(11-22)16-35-24-7-8-25(35)15-26(37)14-24/h3-6,9,12-13,18-19,22,24-26,37H,7-8,10-11,14-17H2,1-2H3,(H,33,38)/t19-,22+,24?,25?,26?
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316344
PNG
(US9617226, Example 25 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCOCC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H35ClN4O3/c1-19(2)31-27(35)18-34-28(22-5-3-6-24(30)15-22)32-26-8-7-21(16-25(26)29(34)36)23-13-20(14-23)17-33-9-4-11-37-12-10-33/h3,5-8,15-16,19-20,23H,4,9-14,17-18H2,1-2H3,(H,31,35)/t20-,23+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316349
PNG
(US9617226, Example 30 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCC(F)CC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H34ClFN4O2/c1-18(2)32-27(36)17-35-28(21-4-3-5-23(30)14-21)33-26-7-6-20(15-25(26)29(35)37)22-12-19(13-22)16-34-10-8-24(31)9-11-34/h3-7,14-15,18-19,22,24H,8-13,16-17H2,1-2H3,(H,32,36)/t19-,22+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316350
PNG
(US9617226, Example 31 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CC3(COC3)C2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H33ClN4O3/c1-18(2)31-26(35)13-34-27(21-4-3-5-23(30)10-21)32-25-7-6-20(11-24(25)28(34)36)22-8-19(9-22)12-33-14-29(15-33)16-37-17-29/h3-7,10-11,18-19,22H,8-9,12-17H2,1-2H3,(H,31,35)/t19-,22+
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316352
PNG
( cis-2-[2-(3-Chlorophenyl)-6-[3-[[(3R)-3-hydroxy-1...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCC[C@@H](O)C2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H35ClN4O3/c1-18(2)31-27(36)17-34-28(21-5-3-6-23(30)13-21)32-26-9-8-20(14-25(26)29(34)37)22-11-19(12-22)15-33-10-4-7-24(35)16-33/h3,5-6,8-9,13-14,18-19,22,24,35H,4,7,10-12,15-17H2,1-2H3,(H,31,36)/t19-,22+,24-/m1/s1
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AbbVie Deutschland GmbH & Co. KG

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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316353
PNG
(US9617226, Example 34 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CC[C@@H](C)C2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H35ClN4O2/c1-18(2)31-27(35)17-34-28(22-5-4-6-24(30)13-22)32-26-8-7-21(14-25(26)29(34)36)23-11-20(12-23)16-33-10-9-19(3)15-33/h4-8,13-14,18-20,23H,9-12,15-17H2,1-3H3,(H,31,35)/t19-,20-,23+/m1/s1
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AbbVie Deutschland GmbH & Co. KG

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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316355
PNG
(US9617226, Example 36 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCC(C)(O)CC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H37ClN4O3/c1-19(2)32-27(36)18-35-28(22-5-4-6-24(31)15-22)33-26-8-7-21(16-25(26)29(35)37)23-13-20(14-23)17-34-11-9-30(3,38)10-12-34/h4-8,15-16,19-20,23,38H,9-14,17-18H2,1-3H3,(H,32,36)/t20-,23+
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Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316356
PNG
( cis-2-[2-(3-Chlorophenyl)-6-[3-[ [(3S)-3-hydroxy-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCC[C@H](O)C2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H35ClN4O3/c1-18(2)31-27(36)17-34-28(21-5-3-6-23(30)13-21)32-26-9-8-20(14-25(26)29(34)37)22-11-19(12-22)15-33-10-4-7-24(35)16-33/h3,5-6,8-9,13-14,18-19,22,24,35H,4,7,10-12,15-17H2,1-2H3,(H,31,36)/t19-,22+,24-/m0/s1
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316357
PNG
(US9617226, Example 38 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCC(CC2)C(F)(F)F)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H34ClF3N4O2/c1-18(2)35-27(39)17-38-28(21-4-3-5-24(31)14-21)36-26-7-6-20(15-25(26)29(38)40)22-12-19(13-22)16-37-10-8-23(9-11-37)30(32,33)34/h3-7,14-15,18-19,22-23H,8-13,16-17H2,1-2H3,(H,35,39)/t19-,22+
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AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)

More data for this
Ligand-Target Pair
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