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Compile Data Set for Download or QSAR

Found 288 hits of ki data for polymerid = 11220   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345134
PNG
((S)-1-((R)-5-chloro-3-(2-methoxy-5-((4-methylpiper...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC
Show InChI InChI=1S/C35H42ClN5O6S/c1-37(2)33(42)31-7-6-16-40(31)35(29-21-24(8-15-32(29)47-5)23-39-19-17-38(3)18-20-39)28-22-25(36)9-14-30(28)41(34(35)43)48(44,45)27-12-10-26(46-4)11-13-27/h8-15,21-22,31H,6-7,16-20,23H2,1-5H3/t31-,35+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345133
PNG
((S)-1-((R)-5-chloro-3-(2-methoxy-5-(pyrrolidin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cc(CN2CCCC2)ccc1OC
Show InChI InChI=1S/C34H39ClN4O6S/c1-36(2)32(40)30-8-7-19-38(30)34(28-20-23(9-16-31(28)45-4)22-37-17-5-6-18-37)27-21-24(35)10-15-29(27)39(33(34)41)46(42,43)26-13-11-25(44-3)12-14-26/h9-16,20-21,30H,5-8,17-19,22H2,1-4H3/t30-,34+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345131
PNG
((S)-1-((R)-5-chloro-3-(2-methoxy-4-((4-methylpiper...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCN(C)CC2)cc1OC
Show InChI InChI=1S/C35H42ClN5O6S/c1-37(2)33(42)31-7-6-16-40(31)35(28-14-8-24(21-32(28)47-5)23-39-19-17-38(3)18-20-39)29-22-25(36)9-15-30(29)41(34(35)43)48(44,45)27-12-10-26(46-4)11-13-27/h8-15,21-22,31H,6-7,16-20,23H2,1-5H3/t31-,35-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345130
PNG
((S)-1-((R)-5-chloro-3-(2-methoxy-4-(pyrrolidin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCCC2)cc1OC
Show InChI InChI=1S/C34H39ClN4O6S/c1-36(2)32(40)30-8-7-19-38(30)34(27-15-9-23(20-31(27)45-4)22-37-17-5-6-18-37)28-21-24(35)10-16-29(28)39(33(34)41)46(42,43)26-13-11-25(44-3)12-14-26/h9-16,20-21,30H,5-8,17-19,22H2,1-4H3/t30-,34-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145126
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,10S,13R,16S)-13-benzyl-7-...)
Show SMILES CC(C)C[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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H67N13O11S2/c1-26(2)20-31-41(66)58-34(23-37(48)62)44(69)59-35(46(71)60-18-7-11-36(60)45(70)55-30(10-6-17-52-47(50)51)40(65)53-24-38(49)63)25-73-72-19-16-39(64)54-32(22-28-12-14-29(61)15-13-28)42(67)57-33(43(68)56-31)21-27-8-4-3-5-9-27/h3-5,8-9,12-15,26,30-36,61H,6-7,10-11,16-25H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,70)(H,56,68)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t30-,31-,32-,33+,34+,35+,36+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345132
PNG
((S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cc(CN2CCCC2)ccc1OC
Show InChI InChI=1S/C35H41ClN4O7S/c1-37(2)33(41)29-9-8-18-39(29)35(27-19-23(10-14-30(27)46-4)22-38-16-6-7-17-38)26-20-24(36)11-13-28(26)40(34(35)42)48(43,44)32-15-12-25(45-3)21-31(32)47-5/h10-15,19-21,29H,6-9,16-18,22H2,1-5H3/t29-,35+/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145118
PNG
(CHEMBL412353 | d[Val4]AVP)
Show SMILES CC(C)[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](CCCNC(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)/t29-,30-,31+,32+,33+,34+,38-/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145112
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CCCNC(N)=N)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C47H68N16O11S2/c48-36(65)23-33-43(72)62-34(45(74)63-19-6-11-35(63)44(73)59-29(9-4-17-54-46(50)51)39(68)56-24-37(49)66)25-76-75-20-16-38(67)57-31(22-27-12-14-28(64)15-13-27)41(70)60-32(21-26-7-2-1-3-8-26)42(71)58-30(40(69)61-33)10-5-18-55-47(52)53/h1-3,7-8,12-15,29-35,64H,4-6,9-11,16-25H2,(H2,48,65)(H2,49,66)(H,56,68)(H,57,67)(H,58,71)(H,59,73)(H,60,70)(H,61,69)(H,62,72)(H4,50,51,54)(H4,52,53,55)/t29-,30?,31-,32+,33+,34+,35+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50370387
PNG
(CHEMBL1790575)
Show SMILES CC[C@H](C)[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/C47H67N13O11S2/c1-3-26(2)39-45(70)57-33(23-36(48)62)42(67)58-34(46(71)60-19-8-12-35(60)44(69)55-30(11-7-18-52-47(50)51)40(65)53-24-37(49)63)25-73-72-20-17-38(64)54-31(22-28-13-15-29(61)16-14-28)41(66)56-32(43(68)59-39)21-27-9-5-4-6-10-27/h4-6,9-10,13-16,26,30-35,39,61H,3,7-8,11-12,17-25H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,68)(H4,50,51,52)/t26-,30-,31-,32+,33+,34+,35+,39-/m0/s1
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0.420n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145124
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-10-but...)
Show SMILES CCCCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H67N13O11S2/c1-2-3-11-31-41(66)58-34(24-37(48)62)44(69)59-35(46(71)60-20-8-13-36(60)45(70)56-30(12-7-19-52-47(50)51)40(65)53-25-38(49)63)26-73-72-21-18-39(64)54-32(23-28-14-16-29(61)17-15-28)42(67)57-33(43(68)55-31)22-27-9-5-4-6-10-27/h4-6,9-10,14-17,30-36,61H,2-3,7-8,11-13,18-26H2,1H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t30-,31?,32-,33+,34+,35+,36+/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | [3H]Arginine vasopressin | [3...)
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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0.490n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V1b receptor expressed in CHO cells after 30 mins


J Med Chem 55: 8588-602 (2012)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145107
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-10-(3-aminopropy...)
Show SMILES NCCCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H66N14O11S2/c47-17-4-9-30-40(66)58-33(23-36(48)62)43(69)59-34(45(71)60-19-6-11-35(60)44(70)56-29(10-5-18-52-46(50)51)39(65)53-24-37(49)63)25-73-72-20-16-38(64)54-31(22-27-12-14-28(61)15-13-27)41(67)57-32(42(68)55-30)21-26-7-2-1-3-8-26/h1-3,7-8,12-15,29-35,61H,4-6,9-11,16-25,47H2,(H2,48,62)(H2,49,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,50,51,52)/t29-,30?,31-,32+,33+,34+,35+/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342028
PNG
(2-((S)-6-amino-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-...)
Show SMILES CC(C)C[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](CCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C47H66N10O12S2/c1-27(2)21-32-42(64)55-35(24-38(49)59)45(67)56-36(47(69)57-19-8-12-37(57)46(68)52-31(11-6-7-18-48)41(63)50-25-40(61)62)26-71-70-20-17-39(60)51-33(23-29-13-15-30(58)16-14-29)43(65)54-34(44(66)53-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,58H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,59)(H,50,63)(H,51,60)(H,52,68)(H,53,66)(H,54,65)(H,55,64)(H,56,67)(H,61,62)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145117
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C48H70N16O11S2/c49-37(66)24-34-44(73)63-35(46(75)64-20-7-12-36(64)45(74)60-30(11-6-19-56-48(53)54)40(69)57-25-38(50)67)26-77-76-21-17-39(68)58-32(23-28-13-15-29(65)16-14-28)42(71)61-33(22-27-8-2-1-3-9-27)43(72)59-31(41(70)62-34)10-4-5-18-55-47(51)52/h1-3,8-9,13-16,30-36,65H,4-7,10-12,17-26H2,(H2,49,66)(H2,50,67)(H,57,69)(H,58,68)(H,59,72)(H,60,74)(H,61,71)(H,62,70)(H,63,73)(H4,51,52,55)(H4,53,54,56)/t30-,31?,32-,33+,34+,35+,36+/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | [3H]Arginine vasopressin | [3...)
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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0.590n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter


Bioorg Med Chem Lett 19: 6018-22 (2009)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342032
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[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](CCCCNC(=O)CCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C54H79N11O13S2/c1-33(2)27-38-49(73)63-41(30-44(56)67)52(76)64-42(54(78)65-25-12-16-43(65)53(77)60-37(48(72)58-31-47(70)71)15-9-11-24-57-45(68)17-8-3-4-10-23-55)32-80-79-26-22-46(69)59-39(29-35-18-20-36(66)21-19-35)50(74)62-40(51(75)61-38)28-34-13-6-5-7-14-34/h5-7,13-14,18-21,33,37-43,66H,3-4,8-12,15-17,22-32,55H2,1-2H3,(H2,56,67)(H,57,68)(H,58,72)(H,59,69)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,70,71)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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0.610n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342029
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[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](CCCCNC(=O)c1ccccc1N)C(=O)NCC(O)=O
Show InChI InChI=1S/C54H71N11O13S2/c1-31(2)25-38-49(73)63-41(28-44(56)67)52(76)64-42(30-80-79-24-21-45(68)59-39(27-33-17-19-34(66)20-18-33)50(74)62-40(51(75)61-38)26-32-11-4-3-5-12-32)54(78)65-23-10-16-43(65)53(77)60-37(48(72)58-29-46(69)70)15-8-9-22-57-47(71)35-13-6-7-14-36(35)55/h3-7,11-14,17-20,31,37-43,66H,8-10,15-16,21-30,55H2,1-2H3,(H2,56,67)(H,57,71)(H,58,72)(H,59,68)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,69,70)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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0.650n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145108
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES CCCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C46H65N13O11S2/c1-2-8-29-40(65)57-33(23-36(47)61)43(68)58-34(45(70)59-19-7-12-35(59)44(69)55-30(11-6-18-51-46(49)50)39(64)52-24-37(48)62)25-72-71-20-17-38(63)53-31(22-27-13-15-28(60)16-14-27)41(66)56-32(42(67)54-29)21-26-9-4-3-5-10-26/h3-5,9-10,13-16,29-35,60H,2,6-8,11-12,17-25H2,1H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t29?,30-,31-,32+,33+,34+,35+/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345129
PNG
((S)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccc(CN2CCCC2)cc1OC
Show InChI InChI=1S/C35H41ClN4O7S/c1-37(2)33(41)29-9-8-18-39(29)35(26-13-10-23(19-30(26)46-4)22-38-16-6-7-17-38)27-20-24(36)11-14-28(27)40(34(35)42)48(43,44)32-15-12-25(45-3)21-31(32)47-5/h10-15,19-21,29H,6-9,16-18,22H2,1-5H3/t29-,35-/m0/s1
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0.810n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

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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<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 incu...


US Patent US9688678 (2017)

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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<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 incu...


US Patent US9688678 (2017)

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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<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 incu...


US Patent US9688678 (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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<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 incu...


US Patent US9688678 (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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<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 incu...


US Patent US9688678 (2017)

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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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)

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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<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 incu...


US Patent US9688678 (2017)

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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<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 incu...


US Patent US9688678 (2017)

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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<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 incu...


US Patent US9688678 (2017)

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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<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 incu...


US Patent US9688678 (2017)

More data for this
Ligand-Target Pair
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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<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 incu...


US Patent US9688678 (2017)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145111
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES CC(O)C1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H63N13O12S2/c1-24(59)37-43(69)55-31(21-34(46)61)40(66)56-32(44(70)58-17-6-10-33(58)42(68)53-28(9-5-16-50-45(48)49)38(64)51-22-35(47)62)23-72-71-18-15-36(63)52-29(20-26-11-13-27(60)14-12-26)39(65)54-30(41(67)57-37)19-25-7-3-2-4-8-25/h2-4,7-8,11-14,24,28-33,37,59-60H,5-6,9-10,15-23H2,1H3,(H2,46,61)(H2,47,62)(H,51,64)(H,52,63)(H,53,68)(H,54,65)(H,55,69)(H,56,66)(H,57,67)(H4,48,49,50)/t24?,28-,29-,30+,31+,32+,33+,37?/m0/s1
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1n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145123
PNG
(CHEMBL410573 | d[Cha4]AVP)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35+,36?,37+,38+,39+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345139
PNG
((R)-5-chloro-3-(2-methoxy-5-(pyrrolidin-1-ylmethyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCCC2)ccc1OC
Show InChI InChI=1S/C34H35ClN4O6S/c1-43-25-9-11-26(12-10-25)46(41,42)39-29-13-8-24(35)21-27(29)34(33(39)40,38-18-5-6-30(38)32-36-15-19-45-32)28-20-23(7-14-31(28)44-2)22-37-16-3-4-17-37/h7-15,19-21,30H,3-6,16-18,22H2,1-2H3/t30-,34+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145109
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES CCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C45H63N13O11S2/c1-2-28-39(64)56-32(22-35(46)60)42(67)57-33(44(69)58-18-7-11-34(58)43(68)54-29(10-6-17-50-45(48)49)38(63)51-23-36(47)61)24-71-70-19-16-37(62)52-30(21-26-12-14-27(59)15-13-26)40(65)55-31(41(66)53-28)20-25-8-4-3-5-9-25/h3-5,8-9,12-15,28-34,59H,2,6-7,10-11,16-24H2,1H3,(H2,46,60)(H2,47,61)(H,51,63)(H,52,62)(H,53,66)(H,54,68)(H,55,65)(H,56,64)(H,57,67)(H4,48,49,50)/t28?,29-,30-,31+,32+,33+,34+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342030
PNG
(CHEMBL1765665 | triethylamine hemi(2-((S)-2-((S)-1...)
Show SMILES CC(C)C[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](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C68H78N12O22S4/c1-34(2)27-46-62(88)78-49(31-52(71)82)65(91)79-50(33-104-103-26-23-53(83)74-47(29-36-13-16-38(81)17-14-36)63(89)77-48(64(90)76-46)28-35-9-4-3-5-10-35)67(93)80-25-8-12-51(80)66(92)75-45(61(87)73-32-54(84)85)11-6-7-24-72-60(86)37-15-18-39(42(30-37)68(94)95)55-40-19-21-43(69)58(105(96,97)98)56(40)102-57-41(55)20-22-44(70)59(57)106(99,100)101/h3-5,9-10,13-22,30,34,45-51,69,81H,6-8,11-12,23-29,31-33,70H2,1-2H3,(H2,71,82)(H,72,86)(H,73,87)(H,74,83)(H,75,92)(H,76,90)(H,77,89)(H,78,88)(H,79,91)(H,84,85)(H,94,95)(H,96,97,98)(H,99,100,101)/p-2/t45-,46-,47-,48-,49-,50-,51-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345142
PNG
((R)-5-chloro-3-(2-methoxy-5-((4-methylpiperazin-1-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN2CCN(C)CC2)ccc1OC
Show InChI InChI=1S/C35H38ClN5O6S/c1-38-16-18-39(19-17-38)23-24-6-13-32(46-3)29(21-24)35(40-15-4-5-31(40)33-37-14-20-47-33)28-22-25(36)7-12-30(28)41(34(35)42)48(43,44)27-10-8-26(45-2)9-11-27/h6-14,20-22,31H,4-5,15-19,23H2,1-3H3/t31-,35+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342031
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[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](CCCCNC(=O)CCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C50H71N11O13S2/c1-29(2)23-34-45(69)59-37(26-40(52)63)48(72)60-38(50(74)61-21-8-12-39(61)49(73)56-33(44(68)54-27-43(66)67)11-6-7-20-53-41(64)17-19-51)28-76-75-22-18-42(65)55-35(25-31-13-15-32(62)16-14-31)46(70)58-36(47(71)57-34)24-30-9-4-3-5-10-30/h3-5,9-10,13-16,29,33-39,62H,6-8,11-12,17-28,51H2,1-2H3,(H2,52,63)(H,53,64)(H,54,68)(H,55,65)(H,56,73)(H,57,71)(H,58,70)(H,59,69)(H,60,72)(H,66,67)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345143
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cccnc1OC
Show InChI InChI=1S/C29H31ClN4O8S/c1-32(2)27(36)23-14-18(35)16-33(23)29(20-7-6-12-31-26(20)42-5)21-13-17(30)8-10-22(21)34(28(29)37)43(38,39)25-11-9-19(40-3)15-24(25)41-4/h6-13,15,18,23,35H,14,16H2,1-5H3/t18-,23+,29+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50145129
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7,10-b...)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C45H62N14O12S2/c46-34(61)20-30-41(68)57-31(21-35(47)62)42(69)58-32(44(71)59-16-5-9-33(59)43(70)54-27(8-4-15-51-45(49)50)38(65)52-22-36(48)63)23-73-72-17-14-37(64)53-28(19-25-10-12-26(60)13-11-25)39(66)55-29(40(67)56-30)18-24-6-2-1-3-7-24/h1-3,6-7,10-13,27-33,60H,4-5,8-9,14-23H2,(H2,46,61)(H2,47,62)(H2,48,63)(H,52,65)(H,53,64)(H,54,70)(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H4,49,50,51)/t27-,28-,29+,30?,31+,32+,33+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342034
PNG
(2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C47H66N10O13S2/c1-26(2)19-31-41(64)54-34(22-38(49)60)44(67)56-35(47(70)57-18-8-12-36(57)45(68)51-30(11-6-7-17-48)40(63)50-23-39(61)62)24-71-72-25-37(59)46(69)55-33(21-28-13-15-29(58)16-14-28)43(66)53-32(42(65)52-31)20-27-9-4-3-5-10-27/h3-5,9-10,13-16,26,30-37,58-59H,6-8,11-12,17-25,48H2,1-2H3,(H2,49,60)(H,50,63)(H,51,68)(H,52,65)(H,53,66)(H,54,64)(H,55,69)(H,56,67)(H,61,62)/t30-,31-,32-,33-,34-,35-,36-,37?/m0/s1
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1.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145122
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-10-(4-aminobutyl...)
Show SMILES NCCCCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C47H68N14O11S2/c48-18-5-4-10-31-41(67)59-34(24-37(49)63)44(70)60-35(46(72)61-20-7-12-36(61)45(71)57-30(11-6-19-53-47(51)52)40(66)54-25-38(50)64)26-74-73-21-17-39(65)55-32(23-28-13-15-29(62)16-14-28)42(68)58-33(43(69)56-31)22-27-8-2-1-3-9-27/h1-3,8-9,13-16,30-36,62H,4-7,10-12,17-26,48H2,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,69)(H,57,71)(H,58,68)(H,59,67)(H,60,70)(H4,51,52,53)/t30-,31?,32-,33+,34+,35+,36+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345140
PNG
((R)-5-chloro-3-(5-((dimethylamino)methyl)-2-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@](N2CCC[C@H]2c2ncco2)(c2cc(Cl)ccc12)c1cc(CN(C)C)ccc1OC
Show InChI InChI=1S/C32H33ClN4O6S/c1-35(2)20-21-7-14-29(42-4)26(18-21)32(36-16-5-6-28(36)30-34-15-17-43-30)25-19-22(33)8-13-27(25)37(31(32)38)44(39,40)24-11-9-23(41-3)10-12-24/h7-15,17-19,28H,5-6,16,20H2,1-4H3/t28-,32+/m0/s1
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2n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145115
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...)
Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CO)C(=O)N[C@H](CC(N)=O)C(=O)N1
Show InChI InChI=1S/C44H61N13O12S2/c45-34(60)20-30-40(66)56-32(43(69)57-16-5-9-33(57)42(68)52-27(8-4-15-49-44(47)48)37(63)50-21-35(46)61)23-71-70-17-14-36(62)51-28(19-25-10-12-26(59)13-11-25)38(64)53-29(18-24-6-2-1-3-7-24)39(65)55-31(22-58)41(67)54-30/h1-3,6-7,10-13,27-33,58-59H,4-5,8-9,14-23H2,(H2,45,60)(H2,46,61)(H,50,63)(H,51,62)(H,52,68)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t27-,28-,29+,30+,31?,32+,33+/m0/s1
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2n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50345145
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1cnccc1OC
Show InChI InChI=1S/C29H31ClN4O8S/c1-32(2)27(36)23-13-18(35)16-33(23)29(21-15-31-11-10-24(21)41-4)20-12-17(30)6-8-22(20)34(28(29)37)43(38,39)26-9-7-19(40-3)14-25(26)42-5/h6-12,14-15,18,23,35H,13,16H2,1-5H3/t18-,23+,29-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Abbott

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting


Bioorg Med Chem Lett 21: 3828-31 (2011)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50145121
PNG
((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-10-(aminomethyl)...)
Show SMILES NCC1NC(=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](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H62N14O11S2/c45-21-31-41(67)55-30(20-34(46)60)40(66)57-32(43(69)58-16-5-9-33(58)42(68)53-27(8-4-15-50-44(48)49)37(63)51-22-35(47)61)23-71-70-17-14-36(62)52-28(19-25-10-12-26(59)13-11-25)38(64)54-29(39(65)56-31)18-24-6-2-1-3-7-24/h1-3,6-7,10-13,27-33,59H,4-5,8-9,14-23,45H2,(H2,46,60)(H2,47,61)(H,51,63)(H,52,62)(H,53,68)(H,54,64)(H,55,67)(H,56,65)(H,57,66)(H4,48,49,50)/t27-,28-,29+,30+,31?,32+,33+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...


J Med Chem 47: 2375-88 (2004)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50342033
PNG
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)
Show SMILES CC(C)C[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](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O
Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins


J Med Chem 54: 2864-77 (2011)

More data for this
Ligand-Target Pair
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