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Patent code US10131692

Compile Data Set for Download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
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))
BDBM301681
PNG
(US10131692, Compound 13)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C50H65ClN12O9S2/c1-29(2)42-48(71)60-37(26-40(52)64)45(68)61-38(49(72)63-21-7-14-39(63)47(70)58-34(13-6-20-55-50(53)54)43(66)56-27-31-10-4-3-5-11-31)28-73-22-9-15-41(65)57-35(24-30-16-18-32(51)19-17-30)44(67)59-36(46(69)62-42)25-33-12-8-23-74-33/h3-5,8,10-12,16-19,23,29,34-39,42H,6-7,9,13-15,20-22,24-28H2,1-2H3,(H2,52,64)(H,56,66)(H,58,70)(H,59,67)(H,60,71)(H,62,69)(H4,53,54,55)/t34-,35+,36+,37+,38+,39+,42+/m1/s1
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US Patent
n/an/an/an/a 1.50E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301688
PNG
(US10131692, Compound 20)
Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C44H63ClN12O9S2/c1-24(2)36-42(65)54-31(22-34(46)58)39(62)55-32(43(66)57-17-5-10-33(57)41(64)52-28(37(60)49-3)9-4-16-50-44(47)48)23-67-18-7-11-35(59)51-29(20-25-12-14-26(45)15-13-25)38(61)53-30(40(63)56-36)21-27-8-6-19-68-27/h6,8,12-15,19,24,28-33,36H,4-5,7,9-11,16-18,20-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,63)(H4,47,48,50)/t28-,29-,30-,31-,32-,33-,36-/m0/s1
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n/an/an/an/a 3.51E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301690
PNG
(US10131692, Compound 22)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)52-31(21-34(45)57)38(60)53-32(42(64)55-16-4-9-33(55)40(62)49-27(22-56)7-3-15-48-43(46)47)23-65-17-6-10-35(58)50-29(19-25-11-13-26(44)14-12-25)37(59)51-30(39(61)54-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,27,29-33,36,56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,59)(H,52,63)(H,53,60)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301691
PNG
(US10131692, Compound 23)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C45H64FN11O10S/c1-25(2)38-43(66)54-33(22-36(47)60)40(63)55-34(44(67)57-18-4-7-35(57)42(65)51-29(23-58)6-3-17-50-45(48)49)24-68-19-5-8-37(61)52-31(20-27-11-15-30(59)16-12-27)39(62)53-32(41(64)56-38)21-26-9-13-28(46)14-10-26/h9-16,25,29,31-35,38,58-59H,3-8,17-24H2,1-2H3,(H2,47,60)(H,51,65)(H,52,61)(H,53,62)(H,54,66)(H,55,63)(H,56,64)(H4,48,49,50)/t29-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 5.18E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301693
PNG
(US10131692, Compound 25)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)53-32(22-34(45)57)38(60)51-29(42(64)55-16-4-8-33(55)40(62)49-27(23-56)6-3-15-48-43(46)47)13-18-65-19-14-35(58)50-30(20-25-9-11-26(44)12-10-25)37(59)52-31(39(61)54-36)21-28-7-5-17-66-28/h5,7,9-12,17,24,27,29-33,36,56H,3-4,6,8,13-16,18-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,60)(H,52,59)(H,53,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301698
PNG
(US10131692, Compound 30)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C44H63ClN12O9S3/c1-4-49-37(60)28(9-5-16-50-44(47)48)52-41(64)33-10-6-17-57(33)43(66)32-23-69-68-19-15-35(59)51-29(20-25-11-13-26(45)14-12-25)38(61)53-30(21-27-8-7-18-67-27)40(63)56-36(24(2)3)42(65)54-31(22-34(46)58)39(62)55-32/h7-8,11-14,18,24,28-33,36H,4-6,9-10,15-17,19-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1
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US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301701
PNG
(US10131692, Compound 33)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C44H63ClN12O9S3/c1-4-49-37(60)28(9-5-15-50-44(47)48)52-41(64)33-22-68-23-57(33)43(66)32-21-67-16-7-10-35(59)51-29(18-25-11-13-26(45)14-12-25)38(61)53-30(19-27-8-6-17-69-27)40(63)56-36(24(2)3)42(65)54-31(20-34(46)58)39(62)55-32/h6,8,11-14,17,24,28-33,36H,4-5,7,9-10,15-16,18-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1
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Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301706
PNG
(US10131692, Compound 38)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C49H66N12O10S3/c1-28(2)41-47(70)58-36(23-39(50)63)44(67)59-37(48(71)61-27-73-26-38(61)46(69)56-33(12-6-18-53-49(51)52)42(65)54-24-30-9-4-3-5-10-30)25-72-19-8-13-40(64)55-34(21-29-14-16-31(62)17-15-29)43(66)57-35(45(68)60-41)22-32-11-7-20-74-32/h3-5,7,9-11,14-17,20,28,33-38,41,62H,6,8,12-13,18-19,21-27H2,1-2H3,(H2,50,63)(H,54,65)(H,55,64)(H,56,69)(H,57,66)(H,58,70)(H,59,67)(H,60,68)(H4,51,52,53)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
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Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301708
PNG
(US10131692, Compound 40)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C41H58ClN11O8S3/c1-23(2)34-39(60)50-29(19-32(43)54)36(57)51-30(40(61)53-22-63-21-31(53)38(59)46-13-3-4-14-47-41(44)45)20-62-15-6-8-33(55)48-27(17-24-9-11-25(42)12-10-24)35(56)49-28(37(58)52-34)18-26-7-5-16-64-26/h5,7,9-12,16,23,27-31,34H,3-4,6,8,13-15,17-22H2,1-2H3,(H2,43,54)(H,46,59)(H,48,55)(H,49,56)(H,50,60)(H,51,57)(H,52,58)(H4,44,45,47)/t27-,28-,29-,30-,31-,34-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301709
PNG
(US10131692, Compound 41)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C43H59ClFN11O8S2/c1-24(2)36-41(63)53-31(20-34(46)57)38(60)54-32(42(64)56-23-66-22-33(56)40(62)49-15-3-4-16-50-43(47)48)21-65-17-5-6-35(58)51-29(18-25-7-11-27(44)12-8-25)37(59)52-30(39(61)55-36)19-26-9-13-28(45)14-10-26/h7-14,24,29-33,36H,3-6,15-23H2,1-2H3,(H2,46,57)(H,49,62)(H,51,58)(H,52,59)(H,53,63)(H,54,60)(H,55,61)(H4,47,48,50)/t29-,30-,31-,32-,33-,36-/m0/s1
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n/an/an/an/a 1.14E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50205308
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1
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n/an/an/an/a 6.59E+3n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301711
PNG
(US10131692, Compound 43 ([Val4]dDAVP))
Show SMILES CC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CCSSCC(NC(=O)C(CC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)
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n/an/an/an/a 2.41E+4n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/an/a 40n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301671
PNG
(US10131692, Compound 3)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H65ClN12O9S2/c1-4-50-38(61)29(10-5-17-51-45(48)49)53-42(65)34-11-6-18-58(34)44(67)33-24-68-19-8-12-36(60)52-30(21-26-13-15-27(46)16-14-26)39(62)54-31(22-28-9-7-20-69-28)41(64)57-37(25(2)3)43(66)55-32(23-35(47)59)40(63)56-33/h7,9,13-16,20,25,29-34,37H,4-6,8,10-12,17-19,21-24H2,1-3H3,(H2,47,59)(H,50,61)(H,52,60)(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,64)(H4,48,49,51)/t29-,30+,31+,32+,33+,34+,37+/m1/s1
UniProtKB/SwissProt

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US Patent
n/an/an/an/a 1.72E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301672
PNG
(US10131692, Compound 4)
Show SMILES CCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H67ClN12O9S2/c1-4-17-51-39(62)30(10-5-18-52-46(49)50)54-43(66)35-11-6-19-59(35)45(68)34-25-69-20-8-12-37(61)53-31(22-27-13-15-28(47)16-14-27)40(63)55-32(23-29-9-7-21-70-29)42(65)58-38(26(2)3)44(67)56-33(24-36(48)60)41(64)57-34/h7,9,13-16,21,26,30-35,38H,4-6,8,10-12,17-20,22-25H2,1-3H3,(H2,48,60)(H,51,62)(H,53,61)(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,65)(H4,49,50,52)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 2.49E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301681
PNG
(US10131692, Compound 13)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C50H65ClN12O9S2/c1-29(2)42-48(71)60-37(26-40(52)64)45(68)61-38(49(72)63-21-7-14-39(63)47(70)58-34(13-6-20-55-50(53)54)43(66)56-27-31-10-4-3-5-11-31)28-73-22-9-15-41(65)57-35(24-30-16-18-32(51)19-17-30)44(67)59-36(46(69)62-42)25-33-12-8-23-74-33/h3-5,8,10-12,16-19,23,29,34-39,42H,6-7,9,13-15,20-22,24-28H2,1-2H3,(H2,52,64)(H,56,66)(H,58,70)(H,59,67)(H,60,71)(H,62,69)(H4,53,54,55)/t34-,35+,36+,37+,38+,39+,42+/m1/s1
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n/an/an/an/a 190n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301682
PNG
(US10131692, Compound 14)
Show SMILES CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H69ClN12O9S2/c1-4-5-18-52-40(63)31(11-6-19-53-47(50)51)55-44(67)36-12-7-20-60(36)46(69)35-26-70-21-9-13-38(62)54-32(23-28-14-16-29(48)17-15-28)41(64)56-33(24-30-10-8-22-71-30)43(66)59-39(27(2)3)45(68)57-34(25-37(49)61)42(65)58-35/h8,10,14-17,22,27,31-36,39H,4-7,9,11-13,18-21,23-26H2,1-3H3,(H2,49,61)(H,52,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,53)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 1.88E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301683
PNG
(US10131692, Compound 15)
Show SMILES CC(C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H67ClN12O10S2/c1-24(2)38-44(68)56-33(21-36(48)61)41(65)57-34(45(69)59-22-28(60)19-35(59)43(67)54-30(39(63)52-25(3)4)9-5-15-51-46(49)50)23-70-16-7-10-37(62)53-31(18-26-11-13-27(47)14-12-26)40(64)55-32(42(66)58-38)20-29-8-6-17-71-29/h6,8,11-14,17,24-25,28,30-35,38,60H,5,7,9-10,15-16,18-23H2,1-4H3,(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,64)(H,56,68)(H,57,65)(H,58,66)(H4,49,50,51)/t28-,30-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 450n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301683
PNG
(US10131692, Compound 15)
Show SMILES CC(C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H67ClN12O10S2/c1-24(2)38-44(68)56-33(21-36(48)61)41(65)57-34(45(69)59-22-28(60)19-35(59)43(67)54-30(39(63)52-25(3)4)9-5-15-51-46(49)50)23-70-16-7-10-37(62)53-31(18-26-11-13-27(47)14-12-26)40(64)55-32(42(66)58-38)20-29-8-6-17-71-29/h6,8,11-14,17,24-25,28,30-35,38,60H,5,7,9-10,15-16,18-23H2,1-4H3,(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,64)(H,56,68)(H,57,65)(H,58,66)(H4,49,50,51)/t28-,30-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 5.77E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301684
PNG
(US10131692, Compound 16 | US10131692, Compound 27)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O10S2/c1-25(2)22-53-40(64)31(9-5-15-52-47(50)51)55-44(68)36-19-29(61)23-60(36)46(70)35-24-71-16-7-10-38(63)54-32(18-27-11-13-28(48)14-12-27)41(65)56-33(20-30-8-6-17-72-30)43(67)59-39(26(3)4)45(69)57-34(21-37(49)62)42(66)58-35/h6,8,11-14,17,25-26,29,31-36,39,61H,5,7,9-10,15-16,18-24H2,1-4H3,(H2,49,62)(H,53,64)(H,55,68)(H,56,65)(H,57,69)(H,59,67)(H4,50,51,52)/t29-,31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 230n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301687
PNG
(US10131692, Compound 19)
Show SMILES CC(C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H69ClN12O9S2/c1-26(2)24-53-40(63)31(10-5-17-52-47(50)51)55-44(67)36-11-6-18-60(36)46(69)35-25-70-19-8-12-38(62)54-32(21-28-13-15-29(48)16-14-28)41(64)56-33(22-30-9-7-20-71-30)43(66)59-39(27(3)4)45(68)57-34(23-37(49)61)42(65)58-35/h7,9,13-16,20,26-27,31-36,39H,5-6,8,10-12,17-19,21-25H2,1-4H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32-,33-,34-,35-,36-,39-/m0/s1
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n/an/an/an/a 290n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301687
PNG
(US10131692, Compound 19)
Show SMILES CC(C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H69ClN12O9S2/c1-26(2)24-53-40(63)31(10-5-17-52-47(50)51)55-44(67)36-11-6-18-60(36)46(69)35-25-70-19-8-12-38(62)54-32(21-28-13-15-29(48)16-14-28)41(64)56-33(22-30-9-7-20-71-30)43(66)59-39(27(3)4)45(68)57-34(23-37(49)61)42(65)58-35/h7,9,13-16,20,26-27,31-36,39H,5-6,8,10-12,17-19,21-25H2,1-4H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32-,33-,34-,35-,36-,39-/m0/s1
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n/an/an/an/a>1.00E+7n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301689
PNG
(US10131692, Compound 21)
Show SMILES CCN(CC)C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O9S2/c1-5-59(6-2)45(68)31(12-7-19-52-47(50)51)54-43(66)36-13-8-20-60(36)46(69)35-26-70-21-10-14-38(62)53-32(23-28-15-17-29(48)18-16-28)40(63)55-33(24-30-11-9-22-71-30)42(65)58-39(27(3)4)44(67)56-34(25-37(49)61)41(64)57-35/h9,11,15-18,22,27,31-36,39H,5-8,10,12-14,19-21,23-26H2,1-4H3,(H2,49,61)(H,54,66)(H,55,63)(H,56,67)(H,58,65)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 5.36E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301703
PNG
(US10131692, Compound 35)
Show SMILES CCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H65ClN12O9S3/c1-4-15-50-38(61)29(9-5-16-51-45(48)49)53-42(65)34-23-69-24-58(34)44(67)33-22-68-17-7-10-36(60)52-30(19-26-11-13-27(46)14-12-26)39(62)54-31(20-28-8-6-18-70-28)41(64)57-37(25(2)3)43(66)55-32(21-35(47)59)40(63)56-33/h6,8,11-14,18,25,29-34,37H,4-5,7,9-10,15-17,19-24H2,1-3H3,(H2,47,59)(H,50,61)(H,52,60)(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,64)(H4,48,49,51)/t29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301703
PNG
(US10131692, Compound 35)
Show SMILES CCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H65ClN12O9S3/c1-4-15-50-38(61)29(9-5-16-51-45(48)49)53-42(65)34-23-69-24-58(34)44(67)33-22-68-17-7-10-36(60)52-30(19-26-11-13-27(46)14-12-26)39(62)54-31(20-28-8-6-18-70-28)41(64)57-37(25(2)3)43(66)55-32(21-35(47)59)40(63)56-33/h6,8,11-14,18,25,29-34,37H,4-5,7,9-10,15-17,19-24H2,1-3H3,(H2,47,59)(H,50,61)(H,52,60)(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,64)(H4,48,49,51)/t29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 1.22E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301669
PNG
(US10131692, Compound 1)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C43H60ClN11O9S2/c1-24(2)36-41(63)52-31(21-34(45)57)38(60)53-32(42(64)55-16-4-9-33(55)40(62)49-27(22-56)7-3-15-48-43(46)47)23-65-17-6-10-35(58)50-29(19-25-11-13-26(44)14-12-25)37(59)51-30(39(61)54-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,27,29-33,36,56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,45,57)(H,49,62)(H,51,59)(H,52,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1
UniProtKB/SwissProt

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n/an/an/an/a 1.41E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301674
PNG
(US10131692, Compound 6)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C43H63N11O10S2/c1-24(2)36-41(63)51-31(21-34(44)57)38(60)52-32(42(64)54-16-4-9-33(54)40(62)48-26(22-55)7-3-15-47-43(45)46)23-65-17-6-10-35(58)49-29(19-25-11-13-27(56)14-12-25)37(59)50-30(39(61)53-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,26,29-33,36,55-56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,44,57)(H,48,62)(H,49,58)(H,50,59)(H,51,63)(H,52,60)(H,53,61)(H4,45,46,47)/t26-,29+,30+,31+,32+,33+,36+/m1/s1
UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 80n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301680
PNG
(US10131692, Compound 12)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC1CC1
Show InChI InChI=1S/C47H65ClN12O9S2/c1-26(2)39-45(68)57-34(23-37(49)61)42(65)58-35(46(69)60-18-4-9-36(60)44(67)55-31(8-3-17-52-47(50)51)40(63)53-24-28-11-12-28)25-70-19-6-10-38(62)54-32(21-27-13-15-29(48)16-14-27)41(64)56-33(43(66)59-39)22-30-7-5-20-71-30/h5,7,13-16,20,26,28,31-36,39H,3-4,6,8-12,17-19,21-25H2,1-2H3,(H2,49,61)(H,53,63)(H,55,67)(H,56,64)(H,57,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
UniProtKB/SwissProt

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US Patent
n/an/an/an/a 3.22E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301682
PNG
(US10131692, Compound 14)
Show SMILES CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H69ClN12O9S2/c1-4-5-18-52-40(63)31(11-6-19-53-47(50)51)55-44(67)36-12-7-20-60(36)46(69)35-26-70-21-9-13-38(62)54-32(23-28-14-16-29(48)17-15-28)41(64)56-33(24-30-10-8-22-71-30)43(66)59-39(27(2)3)45(68)57-34(25-37(49)61)42(65)58-35/h8,10,14-17,22,27,31-36,39H,4-7,9,11-13,18-21,23-26H2,1-3H3,(H2,49,61)(H,52,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,53)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 260n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301691
PNG
(US10131692, Compound 23)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C45H64FN11O10S/c1-25(2)38-43(66)54-33(22-36(47)60)40(63)55-34(44(67)57-18-4-7-35(57)42(65)51-29(23-58)6-3-17-50-45(48)49)24-68-19-5-8-37(61)52-31(20-27-11-15-30(59)16-12-27)39(62)53-32(41(64)56-38)21-26-9-13-28(46)14-10-26/h9-16,25,29,31-35,38,58-59H,3-8,17-24H2,1-2H3,(H2,47,60)(H,51,65)(H,52,61)(H,53,62)(H,54,66)(H,55,63)(H,56,64)(H4,48,49,50)/t29-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301700
PNG
(US10131692, Compound 32)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O10S/c1-4-52-40(64)31(11-8-18-53-47(50)51)55-44(68)36-23-30(61)25-60(36)46(70)32-16-19-71-20-17-38(63)54-33(22-28-12-14-29(48)15-13-28)41(65)57-34(21-27-9-6-5-7-10-27)43(67)59-39(26(2)3)45(69)58-35(24-37(49)62)42(66)56-32/h5-7,9-10,12-15,26,30-36,39,61H,4,8,11,16-25H2,1-3H3,(H2,49,62)(H,52,64)(H,54,63)(H,55,68)(H,56,66)(H,57,65)(H,58,69)(H,59,67)(H4,50,51,53)/t30-,31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301701
PNG
(US10131692, Compound 33)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C44H63ClN12O9S3/c1-4-49-37(60)28(9-5-15-50-44(47)48)52-41(64)33-22-68-23-57(33)43(66)32-21-67-16-7-10-35(59)51-29(18-25-11-13-26(45)14-12-25)38(61)53-30(19-27-8-6-17-69-27)40(63)56-36(24(2)3)42(65)54-31(20-34(46)58)39(62)55-32/h6,8,11-14,17,24,28-33,36H,4-5,7,9-10,15-16,18-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1
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n/an/an/an/a 1.60E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301702
PNG
(US10131692, Compound 34)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C43H61ClN12O9S3/c1-4-48-36(59)27(8-5-14-49-43(46)47)51-40(63)32-21-67-22-56(32)42(65)31-20-66-16-13-34(58)50-28(17-24-9-11-25(44)12-10-24)37(60)52-29(18-26-7-6-15-68-26)39(62)55-35(23(2)3)41(64)53-30(19-33(45)57)38(61)54-31/h6-7,9-12,15,23,27-32,35H,4-5,8,13-14,16-22H2,1-3H3,(H2,45,57)(H,48,59)(H,50,58)(H,51,63)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,46,47,49)/t27-,28+,29+,30+,31+,32+,35+/m1/s1
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n/an/an/an/a 4.02E+4n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301670
PNG
(US10131692, Compound 2)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(C)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C44H65N11O9S2/c1-25(2)37-42(63)52-32(22-35(45)57)39(60)53-33(43(64)55-17-5-10-34(55)41(62)49-28(23-56)8-4-16-48-44(46)47)24-65-18-7-11-36(58)50-30(20-27-14-12-26(3)13-15-27)38(59)51-31(40(61)54-37)21-29-9-6-19-66-29/h6,9,12-15,19,25,28,30-34,37,56H,4-5,7-8,10-11,16-18,20-24H2,1-3H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,59)(H,52,63)(H,53,60)(H,54,61)(H4,46,47,48)/t28-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 8.07E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301679
PNG
(US10131692, Compound 11)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NC1CC1
Show InChI InChI=1S/C46H65ClN12O9S2/c1-25(2)38-44(67)56-33(23-36(48)60)41(64)57-34(45(68)59-18-4-9-35(59)43(66)54-30(8-3-17-51-46(49)50)39(62)52-28-15-16-28)24-69-19-6-10-37(61)53-31(21-26-11-13-27(47)14-12-26)40(63)55-32(42(65)58-38)22-29-7-5-20-70-29/h5,7,11-14,20,25,28,30-35,38H,3-4,6,8-10,15-19,21-24H2,1-2H3,(H2,48,60)(H,52,62)(H,53,61)(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,65)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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US Patent
n/an/an/an/a 4.80E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301686
PNG
(US10131692, Compound 18)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O9S2/c1-26(2)25-53-40(63)31(9-5-17-52-47(50)51)55-44(67)36-10-6-18-60(36)46(69)32-15-20-70-21-16-38(62)54-33(22-28-11-13-29(48)14-12-28)41(64)57-34(23-30-8-7-19-71-30)43(66)59-39(27(3)4)45(68)58-35(24-37(49)61)42(65)56-32/h7-8,11-14,19,26-27,31-36,39H,5-6,9-10,15-18,20-25H2,1-4H3,(H2,49,61)(H,53,63)(H,55,67)(H,57,64)(H,58,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301686
PNG
(US10131692, Compound 18)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O9S2/c1-26(2)25-53-40(63)31(9-5-17-52-47(50)51)55-44(67)36-10-6-18-60(36)46(69)32-15-20-70-21-16-38(62)54-33(22-28-11-13-29(48)14-12-28)41(64)57-34(23-30-8-7-19-71-30)43(66)59-39(27(3)4)45(68)58-35(24-37(49)61)42(65)56-32/h7-8,11-14,19,26-27,31-36,39H,5-6,9-10,15-18,20-25H2,1-4H3,(H2,49,61)(H,53,63)(H,55,67)(H,57,64)(H,58,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a>1.00E+7n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301693
PNG
(US10131692, Compound 25)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)53-32(22-34(45)57)38(60)51-29(42(64)55-16-4-8-33(55)40(62)49-27(23-56)6-3-15-48-43(46)47)13-18-65-19-14-35(58)50-30(20-25-9-11-26(44)12-10-25)37(59)52-31(39(61)54-36)21-28-7-5-17-66-28/h5,7,9-12,17,24,27,29-33,36,56H,3-4,6,8,13-16,18-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,60)(H,52,59)(H,53,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1
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US Patent
n/an/an/an/a 6.43E+4n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301696
PNG
(US10131692, Compound 28)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H65ClN12O10S2/c1-4-50-38(62)29(9-5-15-51-45(48)49)53-42(66)34-19-27(59)22-58(34)44(68)33-23-69-16-7-10-36(61)52-30(18-25-11-13-26(46)14-12-25)39(63)54-31(20-28-8-6-17-70-28)41(65)57-37(24(2)3)43(67)55-32(21-35(47)60)40(64)56-33/h6,8,11-14,17,24,27,29-34,37,59H,4-5,7,9-10,15-16,18-23H2,1-3H3,(H2,47,60)(H,50,62)(H,52,61)(H,53,66)(H,54,63)(H,55,67)(H,56,64)(H,57,65)(H4,48,49,51)/t27-,29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a>1.00E+7n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301699
PNG
(US10131692, Compound 31)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H63ClN12O10S2/c1-4-50-38(62)29(8-5-15-51-45(48)49)53-42(66)34-20-27(59)23-58(34)44(68)30-13-17-69-18-14-36(61)52-31(19-25-9-11-26(46)12-10-25)39(63)55-32(21-28-7-6-16-70-28)41(65)57-37(24(2)3)43(67)56-33(22-35(47)60)40(64)54-30/h6-7,9-12,16,24,27,29-34,37,59H,4-5,8,13-15,17-23H2,1-3H3,(H2,47,60)(H,50,62)(H,53,66)(H,55,63)(H,56,67)(H,57,65)(H4,48,49,51)/t27-,29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301699
PNG
(US10131692, Compound 31)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H63ClN12O10S2/c1-4-50-38(62)29(8-5-15-51-45(48)49)53-42(66)34-20-27(59)23-58(34)44(68)30-13-17-69-18-14-36(61)52-31(19-25-9-11-26(46)12-10-25)39(63)55-32(21-28-7-6-16-70-28)41(65)57-37(24(2)3)43(67)56-33(22-35(47)60)40(64)54-30/h6-7,9-12,16,24,27,29-34,37,59H,4-5,8,13-15,17-23H2,1-3H3,(H2,47,60)(H,50,62)(H,53,66)(H,55,63)(H,56,67)(H,57,65)(H4,48,49,51)/t27-,29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 2.58E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301705
PNG
(US10131692, Compound 37)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1cccs1
Show InChI InChI=1S/C49H64ClFN12O9S3/c1-27(2)41-47(71)60-36(22-39(52)64)44(68)61-37(48(72)63-26-74-25-38(63)46(70)58-33(7-3-17-55-49(53)54)42(66)56-23-32-6-4-19-75-32)24-73-18-5-8-40(65)57-34(20-28-9-13-30(50)14-10-28)43(67)59-35(45(69)62-41)21-29-11-15-31(51)16-12-29/h4,6,9-16,19,27,33-38,41H,3,5,7-8,17-18,20-26H2,1-2H3,(H2,52,64)(H,56,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,53,54,55)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
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n/an/an/an/a 1.01E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301711
PNG
(US10131692, Compound 43 ([Val4]dDAVP))
Show SMILES CC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CCSSCC(NC(=O)C(CC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)
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Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/an/a 5.40E+3n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301672
PNG
(US10131692, Compound 4)
Show SMILES CCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H67ClN12O9S2/c1-4-17-51-39(62)30(10-5-18-52-46(49)50)54-43(66)35-11-6-19-59(35)45(68)34-25-69-20-8-12-37(61)53-31(22-27-13-15-28(47)16-14-27)40(63)55-32(23-29-9-7-21-70-29)42(65)58-38(26(2)3)44(67)56-33(24-36(48)60)41(64)57-34/h7,9,13-16,21,26,30-35,38H,4-6,8,10-12,17-20,22-25H2,1-3H3,(H2,48,60)(H,51,62)(H,53,61)(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,65)(H4,49,50,52)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301674
PNG
(US10131692, Compound 6)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C43H63N11O10S2/c1-24(2)36-41(63)51-31(21-34(44)57)38(60)52-32(42(64)54-16-4-9-33(54)40(62)48-26(22-55)7-3-15-47-43(45)46)23-65-17-6-10-35(58)49-29(19-25-11-13-27(56)14-12-25)37(59)50-30(39(61)53-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,26,29-33,36,55-56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,44,57)(H,48,62)(H,49,58)(H,50,59)(H,51,63)(H,52,60)(H,53,61)(H4,45,46,47)/t26-,29+,30+,31+,32+,33+,36+/m1/s1
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n/an/an/an/a 5.76E+4n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301678
PNG
(US10131692, Compound 10)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C42H60ClN11O8S2/c1-24(2)35-40(61)51-30(22-33(44)55)37(58)52-31(41(62)54-17-5-9-32(54)39(60)47-15-3-4-16-48-42(45)46)23-63-18-7-10-34(56)49-28(20-25-11-13-26(43)14-12-25)36(57)50-29(38(59)53-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,44,55)(H,47,60)(H,49,56)(H,50,57)(H,51,61)(H,52,58)(H,53,59)(H4,45,46,48)/t28-,29-,30-,31-,32-,35-/m0/s1
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Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301679
PNG
(US10131692, Compound 11)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NC1CC1
Show InChI InChI=1S/C46H65ClN12O9S2/c1-25(2)38-44(67)56-33(23-36(48)60)41(64)57-34(45(68)59-18-4-9-35(59)43(66)54-30(8-3-17-51-46(49)50)39(62)52-28-15-16-28)24-69-19-6-10-37(61)53-31(21-26-11-13-27(47)14-12-26)40(63)55-32(42(65)58-38)22-29-7-5-20-70-29/h5,7,11-14,20,25,28,30-35,38H,3-4,6,8-10,15-19,21-24H2,1-2H3,(H2,48,60)(H,52,62)(H,53,61)(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,65)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301685
PNG
(US10131692, Compound 17)
Show SMILES CCc1ccc(C[C@@H]2NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3cccs3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(N)=N)cc1
Show InChI InChI=1S/C45H67N11O9S2/c1-4-27-11-13-28(14-12-27)22-32-39(60)53-33(23-30-9-7-19-67-30)41(62)55-38(26(2)3)43(64)54-34(24-36(46)58)40(61)52-31(15-20-66-21-16-37(59)51-32)44(65)56-18-6-10-35(56)42(63)50-29(25-57)8-5-17-49-45(47)48/h7,9,11-14,19,26,29,31-35,38,57H,4-6,8,10,15-18,20-25H2,1-3H3,(H2,46,58)(H,50,63)(H,51,59)(H,52,61)(H,53,60)(H,54,64)(H,55,62)(H4,47,48,49)/t29-,31+,32+,33+,34+,35+,38+/m1/s1
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US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301692
PNG
(US10131692, Compound 24)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C45H61ClFN11O9S/c1-25(2)38-43(66)55-33(22-36(48)60)40(63)56-34(44(67)58-18-4-7-35(58)42(65)52-30(23-59)6-3-17-51-45(49)50)24-68-19-5-8-37(61)53-31(20-26-9-13-28(46)14-10-26)39(62)54-32(41(64)57-38)21-27-11-15-29(47)16-12-27/h9-16,25,30-35,38,59H,3-8,17-24H2,1-2H3,(H2,48,60)(H,52,65)(H,54,62)(H,55,66)(H,57,64)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301684
PNG
(US10131692, Compound 16 | US10131692, Compound 27)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O10S2/c1-25(2)22-53-40(64)31(9-5-15-52-47(50)51)55-44(68)36-19-29(61)23-60(36)46(70)35-24-71-16-7-10-38(63)54-32(18-27-11-13-28(48)14-12-27)41(65)56-33(20-30-8-6-17-72-30)43(67)59-39(26(3)4)45(69)57-34(21-37(49)62)42(66)58-35/h6,8,11-14,17,25-26,29,31-36,39,61H,5,7,9-10,15-16,18-24H2,1-4H3,(H2,49,62)(H,53,64)(H,55,68)(H,56,65)(H,57,69)(H,59,67)(H4,50,51,52)/t29-,31-,32+,33+,34+,35+,36+,39+/m1/s1
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US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301684
PNG
(US10131692, Compound 16 | US10131692, Compound 27)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O10S2/c1-25(2)22-53-40(64)31(9-5-15-52-47(50)51)55-44(68)36-19-29(61)23-60(36)46(70)35-24-71-16-7-10-38(63)54-32(18-27-11-13-28(48)14-12-27)41(65)56-33(20-30-8-6-17-72-30)43(67)59-39(26(3)4)45(69)57-34(21-37(49)62)42(66)58-35/h6,8,11-14,17,25-26,29,31-36,39,61H,5,7,9-10,15-16,18-24H2,1-4H3,(H2,49,62)(H,53,64)(H,55,68)(H,56,65)(H,57,69)(H,59,67)(H4,50,51,52)/t29-,31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 1.33E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301696
PNG
(US10131692, Compound 28)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H65ClN12O10S2/c1-4-50-38(62)29(9-5-15-51-45(48)49)53-42(66)34-19-27(59)22-58(34)44(68)33-23-69-16-7-10-36(61)52-30(18-25-11-13-26(46)14-12-25)39(63)54-31(20-28-8-6-17-70-28)41(65)57-37(24(2)3)43(67)55-32(21-35(47)60)40(64)56-33/h6,8,11-14,17,24,27,29-34,37,59H,4-5,7,9-10,15-16,18-23H2,1-3H3,(H2,47,60)(H,50,62)(H,52,61)(H,53,66)(H,54,63)(H,55,67)(H,56,64)(H,57,65)(H4,48,49,51)/t27-,29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 320n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301707
PNG
(US10131692, Compound 39)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C49H65ClN12O9S3/c1-28(2)41-47(70)59-36(23-39(51)63)44(67)60-37(48(71)62-27-73-26-38(62)46(69)57-33(12-6-18-54-49(52)53)42(65)55-24-30-9-4-3-5-10-30)25-72-19-8-13-40(64)56-34(21-29-14-16-31(50)17-15-29)43(66)58-35(45(68)61-41)22-32-11-7-20-74-32/h3-5,7,9-11,14-17,20,28,33-38,41H,6,8,12-13,18-19,21-27H2,1-2H3,(H2,51,63)(H,55,65)(H,56,64)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,61,68)(H4,52,53,54)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
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n/an/an/an/a 3.29E+5n/an/an/an/a



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US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301709
PNG
(US10131692, Compound 41)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C43H59ClFN11O8S2/c1-24(2)36-41(63)53-31(20-34(46)57)38(60)54-32(42(64)56-23-66-22-33(56)40(62)49-15-3-4-16-50-43(47)48)21-65-17-5-6-35(58)51-29(18-25-7-11-27(44)12-8-25)37(59)52-30(39(61)55-36)19-26-9-13-28(45)14-10-26/h7-14,24,29-33,36H,3-6,15-23H2,1-2H3,(H2,46,57)(H,49,62)(H,51,58)(H,52,59)(H,53,63)(H,54,60)(H,55,61)(H4,47,48,50)/t29-,30-,31-,32-,33-,36-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50205308
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1
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n/an/an/an/a 220n/an/an/an/a



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US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301670
PNG
(US10131692, Compound 2)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(C)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C44H65N11O9S2/c1-25(2)37-42(63)52-32(22-35(45)57)39(60)53-33(43(64)55-17-5-10-34(55)41(62)49-28(23-56)8-4-16-48-44(46)47)24-65-18-7-11-36(58)50-30(20-27-14-12-26(3)13-15-27)38(59)51-31(40(61)54-37)21-29-9-6-19-66-29/h6,9,12-15,19,25,28,30-34,37,56H,4-5,7-8,10-11,16-18,20-24H2,1-3H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,59)(H,52,63)(H,53,60)(H,54,61)(H4,46,47,48)/t28-,30+,31+,32+,33+,34+,37+/m1/s1
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Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301675
PNG
(US10131692, Compound 7)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C44H61ClFN11O8S/c1-25(2)37-42(64)54-32(23-35(47)58)39(61)55-33(43(65)57-19-5-7-34(57)41(63)50-17-3-4-18-51-44(48)49)24-66-20-6-8-36(59)52-30(21-26-9-13-28(45)14-10-26)38(60)53-31(40(62)56-37)22-27-11-15-29(46)16-12-27/h9-16,25,30-34,37H,3-8,17-24H2,1-2H3,(H2,47,58)(H,50,63)(H,52,59)(H,53,60)(H,54,64)(H,55,61)(H,56,62)(H4,48,49,51)/t30-,31-,32-,33-,34-,37-/m0/s1
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n/an/an/an/a 1.42E+5n/an/an/an/a



Ferring B.V.

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Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301676
PNG
(US10131692, Compound 8)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C44H62FN11O9S/c1-25(2)37-42(64)53-32(23-35(46)58)39(61)54-33(43(65)56-19-5-7-34(56)41(63)49-17-3-4-18-50-44(47)48)24-66-20-6-8-36(59)51-30(21-27-11-15-29(57)16-12-27)38(60)52-31(40(62)55-37)22-26-9-13-28(45)14-10-26/h9-16,25,30-34,37,57H,3-8,17-24H2,1-2H3,(H2,46,58)(H,49,63)(H,51,59)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,47,48,50)/t30-,31-,32-,33-,34-,37-/m0/s1
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n/an/an/an/a 1.76E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301685
PNG
(US10131692, Compound 17)
Show SMILES CCc1ccc(C[C@@H]2NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3cccs3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(N)=N)cc1
Show InChI InChI=1S/C45H67N11O9S2/c1-4-27-11-13-28(14-12-27)22-32-39(60)53-33(23-30-9-7-19-67-30)41(62)55-38(26(2)3)43(64)54-34(24-36(46)58)40(61)52-31(15-20-66-21-16-37(59)51-32)44(65)56-18-6-10-35(56)42(63)50-29(25-57)8-5-17-49-45(47)48/h7,9,11-14,19,26,29,31-35,38,57H,4-6,8,10,15-18,20-25H2,1-3H3,(H2,46,58)(H,50,63)(H,51,59)(H,52,61)(H,53,60)(H,54,64)(H,55,62)(H4,47,48,49)/t29-,31+,32+,33+,34+,35+,38+/m1/s1
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Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301689
PNG
(US10131692, Compound 21)
Show SMILES CCN(CC)C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O9S2/c1-5-59(6-2)45(68)31(12-7-19-52-47(50)51)54-43(66)36-13-8-20-60(36)46(69)35-26-70-21-10-14-38(62)53-32(23-28-15-17-29(48)18-16-28)40(63)55-33(24-30-11-9-22-71-30)42(65)58-39(27(3)4)44(67)56-34(25-37(49)61)41(64)57-35/h9,11,15-18,22,27,31-36,39H,5-8,10,12-14,19-21,23-26H2,1-4H3,(H2,49,61)(H,54,66)(H,55,63)(H,56,67)(H,58,65)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301692
PNG
(US10131692, Compound 24)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C45H61ClFN11O9S/c1-25(2)38-43(66)55-33(22-36(48)60)40(63)56-34(44(67)58-18-4-7-35(58)42(65)52-30(23-59)6-3-17-51-45(49)50)24-68-19-5-8-37(61)53-31(20-26-9-13-28(46)14-10-26)39(62)54-32(41(64)57-38)21-27-11-15-29(47)16-12-27/h9-16,25,30-35,38,59H,3-8,17-24H2,1-2H3,(H2,48,60)(H,52,65)(H,54,62)(H,55,66)(H,57,64)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 2.23E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301694
PNG
(US10131692, Compound 26)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C49H69ClN12O9S/c1-28(2)27-55-42(65)33(12-8-20-54-49(52)53)57-46(69)38-13-9-21-62(38)48(71)34-18-22-72-23-19-40(64)56-35(25-31-14-16-32(50)17-15-31)43(66)59-36(24-30-10-6-5-7-11-30)45(68)61-41(29(3)4)47(70)60-37(26-39(51)63)44(67)58-34/h5-7,10-11,14-17,28-29,33-38,41H,8-9,12-13,18-27H2,1-4H3,(H2,51,63)(H,55,65)(H,57,69)(H,59,66)(H,60,70)(H,61,68)(H4,52,53,54)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
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US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301697
PNG
(US10131692, Compound 29)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H63ClN12O9S2/c1-4-51-39(62)30(12-8-19-52-46(49)50)54-43(66)35-13-9-20-59(35)45(68)34-25-70-69-21-18-37(61)53-31(23-28-14-16-29(47)17-15-28)40(63)55-32(22-27-10-6-5-7-11-27)42(65)58-38(26(2)3)44(67)56-33(24-36(48)60)41(64)57-34/h5-7,10-11,14-17,26,30-35,38H,4,8-9,12-13,18-25H2,1-3H3,(H2,48,60)(H,51,62)(H,54,66)(H,55,63)(H,56,67)(H,58,65)(H4,49,50,52)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301698
PNG
(US10131692, Compound 30)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C44H63ClN12O9S3/c1-4-49-37(60)28(9-5-16-50-44(47)48)52-41(64)33-10-6-17-57(33)43(66)32-23-69-68-19-15-35(59)51-29(20-25-11-13-26(45)14-12-25)38(61)53-30(21-27-8-7-18-67-27)40(63)56-36(24(2)3)42(65)54-31(22-34(46)58)39(62)55-32/h7-8,11-14,18,24,28-33,36H,4-6,9-10,15-17,19-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1
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n/an/an/an/a 1.23E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301700
PNG
(US10131692, Compound 32)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O10S/c1-4-52-40(64)31(11-8-18-53-47(50)51)55-44(68)36-23-30(61)25-60(36)46(70)32-16-19-71-20-17-38(63)54-33(22-28-12-14-29(48)15-13-28)41(65)57-34(21-27-9-6-5-7-10-27)43(67)59-39(26(2)3)45(69)58-35(24-37(49)62)42(66)56-32/h5-7,9-10,12-15,26,30-36,39,61H,4,8,11,16-25H2,1-3H3,(H2,49,62)(H,52,64)(H,54,63)(H,55,68)(H,56,66)(H,57,65)(H,58,69)(H,59,67)(H4,50,51,53)/t30-,31-,32+,33+,34+,35+,36+,39+/m1/s1
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PC sid
UniChem
US Patent
n/an/an/an/a 290n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301705
PNG
(US10131692, Compound 37)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1cccs1
Show InChI InChI=1S/C49H64ClFN12O9S3/c1-27(2)41-47(71)60-36(22-39(52)64)44(68)61-37(48(72)63-26-74-25-38(63)46(70)58-33(7-3-17-55-49(53)54)42(66)56-23-32-6-4-19-75-32)24-73-18-5-8-40(65)57-34(20-28-9-13-30(50)14-10-28)43(67)59-35(45(69)62-41)21-29-11-15-31(51)16-12-29/h4,6,9-16,19,27,33-38,41H,3,5,7-8,17-18,20-26H2,1-2H3,(H2,52,64)(H,56,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,53,54,55)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
UniProtKB/SwissProt

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n/an/an/an/a 300n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301707
PNG
(US10131692, Compound 39)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C49H65ClN12O9S3/c1-28(2)41-47(70)59-36(23-39(51)63)44(67)60-37(48(71)62-27-73-26-38(62)46(69)57-33(12-6-18-54-49(52)53)42(65)55-24-30-9-4-3-5-10-30)25-72-19-8-13-40(64)56-34(21-29-14-16-31(50)17-15-29)43(66)58-35(45(68)61-41)22-32-11-7-20-74-32/h3-5,7,9-11,14-17,20,28,33-38,41H,6,8,12-13,18-19,21-27H2,1-2H3,(H2,51,63)(H,55,65)(H,56,64)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,61,68)(H4,52,53,54)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
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n/an/an/an/a 310n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301708
PNG
(US10131692, Compound 40)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C41H58ClN11O8S3/c1-23(2)34-39(60)50-29(19-32(43)54)36(57)51-30(40(61)53-22-63-21-31(53)38(59)46-13-3-4-14-47-41(44)45)20-62-15-6-8-33(55)48-27(17-24-9-11-25(42)12-10-24)35(56)49-28(37(58)52-34)18-26-7-5-16-64-26/h5,7,9-12,16,23,27-31,34H,3-4,6,8,13-15,17-22H2,1-2H3,(H2,43,54)(H,46,59)(H,48,55)(H,49,56)(H,50,60)(H,51,57)(H,52,58)(H4,44,45,47)/t27-,28-,29-,30-,31-,34-/m0/s1
UniProtKB/SwissProt

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n/an/an/an/a 1.41E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301669
PNG
(US10131692, Compound 1)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C43H60ClN11O9S2/c1-24(2)36-41(63)52-31(21-34(45)57)38(60)53-32(42(64)55-16-4-9-33(55)40(62)49-27(22-56)7-3-15-48-43(46)47)23-65-17-6-10-35(58)50-29(19-25-11-13-26(44)14-12-25)37(59)51-30(39(61)54-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,27,29-33,36,56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,45,57)(H,49,62)(H,51,59)(H,52,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301671
PNG
(US10131692, Compound 3)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H65ClN12O9S2/c1-4-50-38(61)29(10-5-17-51-45(48)49)53-42(65)34-11-6-18-58(34)44(67)33-24-68-19-8-12-36(60)52-30(21-26-13-15-27(46)16-14-26)39(62)54-31(22-28-9-7-20-69-28)41(64)57-37(25(2)3)43(66)55-32(23-35(47)59)40(63)56-33/h7,9,13-16,20,25,29-34,37H,4-6,8,10-12,17-19,21-24H2,1-3H3,(H2,47,59)(H,50,61)(H,52,60)(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,64)(H4,48,49,51)/t29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 290n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301673
PNG
(US10131692, Compound 5)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H69ClN12O9S2/c1-26(2)24-53-40(63)31(10-5-17-52-47(50)51)55-44(67)36-11-6-18-60(36)46(69)35-25-70-19-8-12-38(62)54-32(21-28-13-15-29(48)16-14-28)41(64)56-33(22-30-9-7-20-71-30)43(66)59-39(27(3)4)45(68)57-34(23-37(49)61)42(65)58-35/h7,9,13-16,20,26-27,31-36,39H,5-6,8,10-12,17-19,21-25H2,1-4H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301673
PNG
(US10131692, Compound 5)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H69ClN12O9S2/c1-26(2)24-53-40(63)31(10-5-17-52-47(50)51)55-44(67)36-11-6-18-60(36)46(69)35-25-70-19-8-12-38(62)54-32(21-28-13-15-29(48)16-14-28)41(64)56-33(22-30-9-7-20-71-30)43(66)59-39(27(3)4)45(68)57-34(23-37(49)61)42(65)58-35/h7,9,13-16,20,26-27,31-36,39H,5-6,8,10-12,17-19,21-25H2,1-4H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 2.14E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301675
PNG
(US10131692, Compound 7)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C44H61ClFN11O8S/c1-25(2)37-42(64)54-32(23-35(47)58)39(61)55-33(43(65)57-19-5-7-34(57)41(63)50-17-3-4-18-51-44(48)49)24-66-20-6-8-36(59)52-30(21-26-9-13-28(45)14-10-26)38(60)53-31(40(62)56-37)22-27-11-15-29(46)16-12-27/h9-16,25,30-34,37H,3-8,17-24H2,1-2H3,(H2,47,58)(H,50,63)(H,52,59)(H,53,60)(H,54,64)(H,55,61)(H,56,62)(H4,48,49,51)/t30-,31-,32-,33-,34-,37-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301676
PNG
(US10131692, Compound 8)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C44H62FN11O9S/c1-25(2)37-42(64)53-32(23-35(46)58)39(61)54-33(43(65)56-19-5-7-34(56)41(63)49-17-3-4-18-50-44(47)48)24-66-20-6-8-36(59)51-30(21-27-11-15-29(57)16-12-27)38(60)52-31(40(62)55-37)22-26-9-13-28(45)14-10-26/h9-16,25,30-34,37,57H,3-8,17-24H2,1-2H3,(H2,46,58)(H,49,63)(H,51,59)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,47,48,50)/t30-,31-,32-,33-,34-,37-/m0/s1
UniProtKB/SwissProt

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n/an/an/an/a 100n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301677
PNG
(US10131692, Compound 9)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C42H61N11O9S2/c1-24(2)35-40(61)50-30(22-33(43)55)37(58)51-31(41(62)53-17-5-9-32(53)39(60)46-15-3-4-16-47-42(44)45)23-63-18-7-10-34(56)48-28(20-25-11-13-26(54)14-12-25)36(57)49-29(38(59)52-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35,54H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,43,55)(H,46,60)(H,48,56)(H,49,57)(H,50,61)(H,51,58)(H,52,59)(H4,44,45,47)/t28-,29-,30-,31-,32-,35-/m0/s1
UniProtKB/SwissProt

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n/an/an/an/a 190n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301677
PNG
(US10131692, Compound 9)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C42H61N11O9S2/c1-24(2)35-40(61)50-30(22-33(43)55)37(58)51-31(41(62)53-17-5-9-32(53)39(60)46-15-3-4-16-47-42(44)45)23-63-18-7-10-34(56)48-28(20-25-11-13-26(54)14-12-25)36(57)49-29(38(59)52-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35,54H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,43,55)(H,46,60)(H,48,56)(H,49,57)(H,50,61)(H,51,58)(H,52,59)(H4,44,45,47)/t28-,29-,30-,31-,32-,35-/m0/s1
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n/an/an/an/a>1.00E+7n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301678
PNG
(US10131692, Compound 10)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C42H60ClN11O8S2/c1-24(2)35-40(61)51-30(22-33(44)55)37(58)52-31(41(62)54-17-5-9-32(54)39(60)47-15-3-4-16-48-42(45)46)23-63-18-7-10-34(56)49-28(20-25-11-13-26(43)14-12-25)36(57)50-29(38(59)53-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,44,55)(H,47,60)(H,49,56)(H,50,57)(H,51,61)(H,52,58)(H,53,59)(H4,45,46,48)/t28-,29-,30-,31-,32-,35-/m0/s1
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n/an/an/an/a 1.05E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301680
PNG
(US10131692, Compound 12)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC1CC1
Show InChI InChI=1S/C47H65ClN12O9S2/c1-26(2)39-45(68)57-34(23-37(49)61)42(65)58-35(46(69)60-18-4-9-36(60)44(67)55-31(8-3-17-52-47(50)51)40(63)53-24-28-11-12-28)25-70-19-6-10-38(62)54-32(21-27-13-15-29(48)16-14-27)41(64)56-33(43(66)59-39)22-30-7-5-20-71-30/h5,7,13-16,20,26,28,31-36,39H,3-4,6,8-12,17-19,21-25H2,1-2H3,(H2,49,61)(H,53,63)(H,55,67)(H,56,64)(H,57,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301688
PNG
(US10131692, Compound 20)
Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C44H63ClN12O9S2/c1-24(2)36-42(65)54-31(22-34(46)58)39(62)55-32(43(66)57-17-5-10-33(57)41(64)52-28(37(60)49-3)9-4-16-50-44(47)48)23-67-18-7-11-35(59)51-29(20-25-12-14-26(45)15-13-25)38(61)53-30(40(63)56-36)21-27-8-6-19-68-27/h6,8,12-15,19,24,28-33,36H,4-5,7,9-11,16-18,20-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,63)(H4,47,48,50)/t28-,29-,30-,31-,32-,33-,36-/m0/s1
UniProtKB/SwissProt

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US Patent
n/an/an/an/a 270n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301690
PNG
(US10131692, Compound 22)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N
Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)52-31(21-34(45)57)38(60)53-32(42(64)55-16-4-9-33(55)40(62)49-27(22-56)7-3-15-48-43(46)47)23-65-17-6-10-35(58)50-29(19-25-11-13-26(44)14-12-25)37(59)51-30(39(61)54-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,27,29-33,36,56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,59)(H,52,63)(H,53,60)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1
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n/an/an/an/a 3.83E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301697
PNG
(US10131692, Compound 29)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C46H63ClN12O9S2/c1-4-51-39(62)30(12-8-19-52-46(49)50)54-43(66)35-13-9-20-59(35)45(68)34-25-70-69-21-18-37(61)53-31(23-28-14-16-29(47)17-15-28)40(63)55-32(22-27-10-6-5-7-11-27)42(65)58-38(26(2)3)44(67)56-33(24-36(48)60)41(64)57-34/h5-7,10-11,14-17,26,30-35,38H,4,8-9,12-13,18-25H2,1-3H3,(H2,48,60)(H,51,62)(H,54,66)(H,55,63)(H,56,67)(H,58,65)(H4,49,50,52)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a>1.00E+7n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301702
PNG
(US10131692, Compound 34)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C43H61ClN12O9S3/c1-4-48-36(59)27(8-5-14-49-43(46)47)51-40(63)32-21-67-22-56(32)42(65)31-20-66-16-13-34(58)50-28(17-24-9-11-25(44)12-10-24)37(60)52-29(18-26-7-6-15-68-26)39(62)55-35(23(2)3)41(64)53-30(19-33(45)57)38(61)54-31/h6-7,9-12,15,23,27-32,35H,4-5,8,13-14,16-22H2,1-3H3,(H2,45,57)(H,48,59)(H,50,58)(H,51,63)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,46,47,49)/t27-,28+,29+,30+,31+,32+,35+/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301704
PNG
(US10131692, Compound 36)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1cccs1
Show InChI InChI=1S/C47H63ClN12O9S4/c1-26(2)39-45(68)57-34(21-37(49)61)42(65)58-35(46(69)60-25-71-24-36(60)44(67)55-31(9-3-15-52-47(50)51)40(63)53-22-30-8-5-18-73-30)23-70-16-6-10-38(62)54-32(19-27-11-13-28(48)14-12-27)41(64)56-33(43(66)59-39)20-29-7-4-17-72-29/h4-5,7-8,11-14,17-18,26,31-36,39H,3,6,9-10,15-16,19-25H2,1-2H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 9.56E+4n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301706
PNG
(US10131692, Compound 38)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C49H66N12O10S3/c1-28(2)41-47(70)58-36(23-39(50)63)44(67)59-37(48(71)61-27-73-26-38(61)46(69)56-33(12-6-18-53-49(51)52)42(65)54-24-30-9-4-3-5-10-30)25-72-19-8-13-40(64)55-34(21-29-14-16-31(62)17-15-29)43(66)57-35(45(68)60-41)22-32-11-7-20-74-32/h3-5,7,9-11,14-17,20,28,33-38,41,62H,6,8,12-13,18-19,21-27H2,1-2H3,(H2,50,63)(H,54,65)(H,55,64)(H,56,69)(H,57,66)(H,58,70)(H,59,67)(H,60,68)(H4,51,52,53)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301684
PNG
(US10131692, Compound 16 | US10131692, Compound 27)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H67ClN12O10S2/c1-25(2)22-53-40(64)31(9-5-15-52-47(50)51)55-44(68)36-19-29(61)23-60(36)46(70)35-24-71-16-7-10-38(63)54-32(18-27-11-13-28(48)14-12-27)41(65)56-33(20-30-8-6-17-72-30)43(67)59-39(26(3)4)45(69)57-34(21-37(49)62)42(66)58-35/h6,8,11-14,17,25-26,29,31-36,39,61H,5,7,9-10,15-16,18-24H2,1-4H3,(H2,49,62)(H,53,64)(H,55,68)(H,56,65)(H,57,69)(H,59,67)(H4,50,51,52)/t29-,31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 4.81E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM301694
PNG
(US10131692, Compound 26)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C49H69ClN12O9S/c1-28(2)27-55-42(65)33(12-8-20-54-49(52)53)57-46(69)38-13-9-21-62(38)48(71)34-18-22-72-23-19-40(64)56-35(25-31-14-16-32(50)17-15-31)43(66)59-36(24-30-10-6-5-7-11-30)45(68)61-41(29(3)4)47(70)60-37(26-39(51)63)44(67)58-34/h5-7,10-11,14-17,28-29,33-38,41H,8-9,12-13,18-27H2,1-4H3,(H2,51,63)(H,55,65)(H,57,69)(H,59,66)(H,60,70)(H,61,68)(H4,52,53,54)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
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n/an/an/an/a 4.58E+4n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301704
PNG
(US10131692, Compound 36)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1cccs1
Show InChI InChI=1S/C47H63ClN12O9S4/c1-26(2)39-45(68)57-34(21-37(49)61)42(65)58-35(46(69)60-25-71-24-36(60)44(67)55-31(9-3-15-52-47(50)51)40(63)53-22-30-8-5-18-73-30)23-70-16-6-10-38(62)54-32(19-27-11-13-28(48)14-12-27)41(64)56-33(43(66)59-39)20-29-7-4-17-72-29/h4-5,7-8,11-14,17-18,26,31-36,39H,3,6,9-10,15-16,19-25H2,1-2H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 170n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%