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Compile Data Set for Download or QSAR

Found 114 hits of kd for Vasopressin receptor
having polymerids = 326,4332,49001080,49001083 and
complexids = 50013946   
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 V2 Receptor


(Rattus norvegicus (Rat))
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/a 1.5n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Bioorg Med Chem Lett 9: 667-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00041-4
BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50403723
PNG
(CHEMBL2110163)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44)58)37(64)53-28(18-31(45)59)38(65)54-29(40(67)57(3)21-34(62)51-26(10-7-16-49-42(47)48)36(63)50-20-32(46)60)22-70-69-17-14-33(61)56-43(41(68)55-35)15-13-24-8-5-6-9-25(24)19-43/h5-6,8-9,23,26-29,35H,4,7,10-22H2,1-3H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,61)(H4,47,48,49)/t23-,26-,27-,28+,29+,35+,43-/m0/s1
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n/an/an/a 2.29E+3n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Bioorg Med Chem Lett 9: 667-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00041-4
BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50403724
PNG
(CHEMBL2110297)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44)58)37(64)53-28(18-31(45)59)38(65)54-29(40(67)57(3)21-34(62)51-26(10-7-16-49-42(47)48)36(63)50-20-32(46)60)22-70-69-17-14-33(61)56-43(41(68)55-35)15-13-24-8-5-6-9-25(24)19-43/h5-6,8-9,23,26-29,35H,4,7,10-22H2,1-3H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,61)(H4,47,48,49)/t23-,26-,27-,28+,29+,35+,43+/m0/s1
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n/an/an/a 5.34E+3n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Bioorg Med Chem Lett 9: 667-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00041-4
BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452734
PNG
(CHEMBL2373441)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C52H80N14O11/c1-5-77-33-20-18-32(19-21-33)28-37(60-43(69)30-52(2,3)4)46(72)64-38(27-31-13-7-6-8-14-31)47(73)62-35(22-23-41(54)67)45(71)65-39(29-42(55)68)48(74)63-36(15-9-10-24-53)50(76)66-26-12-17-40(66)49(75)61-34(44(56)70)16-11-25-59-51(57)58/h6-8,13-14,18-21,34-40H,5,9-12,15-17,22-30,53H2,1-4H3,(H2,54,67)(H2,55,68)(H2,56,70)(H,60,69)(H,61,75)(H,62,73)(H,63,74)(H,64,72)(H,65,71)(H4,57,58,59)/t34-,35-,36-,37+,38-,39-,40+/m0/s1
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n/an/an/a 6.31E+3n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452738
PNG
(CHEMBL2373374)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C52H72N14O11/c53-24-8-7-15-37(51(77)66-26-10-17-41(66)50(76)61-35(45(56)71)16-9-25-59-52(57)58)63-49(75)40(30-43(55)69)65-46(72)36(22-23-42(54)68)62-48(74)39(27-31-11-3-1-4-12-31)64-47(73)38(28-33-18-20-34(67)21-19-33)60-44(70)29-32-13-5-2-6-14-32/h1-6,11-14,18-21,35-41,67H,7-10,15-17,22-30,53H2,(H2,54,68)(H2,55,69)(H2,56,71)(H,60,70)(H,61,76)(H,62,74)(H,63,75)(H,64,73)(H,65,72)(H4,57,58,59)/t35-,36-,37-,38+,39-,40-,41+/m0/s1
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n/an/an/a 63n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452744
PNG
(CHEMBL2370380)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C62H95N19O11/c1-34(2)50(80-55(89)45(27-35-10-4-3-5-11-35)78-53(87)44(28-36-16-18-40(82)19-17-36)74-49(84)33-62-30-37-24-38(31-62)26-39(25-37)32-62)57(91)79-46(29-48(63)83)54(88)77-43(14-8-22-73-61(69)70)58(92)81-23-9-15-47(81)56(90)76-42(13-7-21-72-60(67)68)52(86)75-41(51(64)85)12-6-20-71-59(65)66/h3-5,10-11,16-19,34,37-39,41-47,50,82H,6-9,12-15,20-33H2,1-2H3,(H2,63,83)(H2,64,85)(H,74,84)(H,75,86)(H,76,90)(H,77,88)(H,78,87)(H,79,91)(H,80,89)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t37?,38?,39?,41-,42-,43-,44+,45-,46-,47+,50-,62?/m0/s1
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n/an/an/a 22n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452745
PNG
(CHEMBL2370381)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C64H99N17O11/c1-4-92-43-21-19-39(20-22-43)31-47(74-52(83)36-64-33-40-27-41(34-64)29-42(28-40)35-64)56(86)78-48(30-38-13-6-5-7-14-38)58(88)80-53(37(2)3)60(90)79-49(32-51(66)82)57(87)77-46(15-8-9-23-65)61(91)81-26-12-18-50(81)59(89)76-45(17-11-25-73-63(70)71)55(85)75-44(54(67)84)16-10-24-72-62(68)69/h5-7,13-14,19-22,37,40-42,44-50,53H,4,8-12,15-18,23-36,65H2,1-3H3,(H2,66,82)(H2,67,84)(H,74,83)(H,75,85)(H,76,89)(H,77,87)(H,78,86)(H,79,90)(H,80,88)(H4,68,69,72)(H4,70,71,73)/t40?,41?,42?,44-,45-,46-,47+,48-,49-,50+,53-,64?/m0/s1
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n/an/an/a 20n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452735
PNG
(CHEMBL2370376)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C58H87N13O10/c1-4-81-40-19-17-36(18-20-40)28-43(65-48(73)33-58-30-37-24-38(31-58)26-39(25-37)32-58)51(75)68-44(27-35-12-6-5-7-13-35)53(77)70-49(34(2)3)55(79)69-45(29-47(60)72)52(76)67-42(14-8-9-21-59)56(80)71-23-11-16-46(71)54(78)66-41(50(61)74)15-10-22-64-57(62)63/h5-7,12-13,17-20,34,37-39,41-46,49H,4,8-11,14-16,21-33,59H2,1-3H3,(H2,60,72)(H2,61,74)(H,65,73)(H,66,78)(H,67,76)(H,68,75)(H,69,79)(H,70,77)(H4,62,63,64)/t37?,38?,39?,41-,42-,43+,44-,45-,46+,49-,58?/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50452733
PNG
(CHEMBL2373423)
Show SMILES COc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C53H75N13O10/c1-32(2)45(65-49(72)40(28-33-14-6-4-7-15-33)63-47(70)39(29-35-21-23-36(76-3)24-22-35)60-44(68)30-34-16-8-5-9-17-34)51(74)64-41(31-43(55)67)48(71)62-38(18-10-11-25-54)52(75)66-27-13-20-42(66)50(73)61-37(46(56)69)19-12-26-59-53(57)58/h4-9,14-17,21-24,32,37-42,45H,10-13,18-20,25-31,54H2,1-3H3,(H2,55,67)(H2,56,69)(H,60,68)(H,61,73)(H,62,71)(H,63,70)(H,64,74)(H,65,72)(H4,57,58,59)/t37-,38-,39+,40-,41-,42+,45-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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/a 0.640n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Binding potency against V1 receptor in rat liver cells


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50406623
PNG
(CHEMBL2115369)
Show SMILES COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1
Show InChI InChI=1S/C58H79N11O12S2/c1-34(2)48-55(78)65-44(31-47(60)71)52(75)66-45(56(79)69-27-11-15-46(69)54(77)62-40(14-7-10-26-59)50(73)63-41(49(61)72)28-36-16-20-38(70)21-17-36)32-82-83-33-58(24-8-9-25-58)57(80)67-43(30-37-18-22-39(81-3)23-19-37)51(74)64-42(53(76)68-48)29-35-12-5-4-6-13-35/h4-6,12-13,16-23,34,40-46,48,70H,7-11,14-15,24-33,59H2,1-3H3,(H2,60,71)(H2,61,72)(H,62,77)(H,63,73)(H,64,74)(H,65,78)(H,66,75)(H,67,80)(H,68,76)/t40-,41-,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/an/a 0.234n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Negative log of Kd for Vasopressin V1 receptor


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50008092
PNG
(CHEMBL2372415 | cyclo(Ppa-Phe(NO2)-Phe-Val-Asn-Cys...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)C2(CCCC2)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)N[C@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H76N12O13S2/c1-33(2)47-54(78)64-43(30-46(59)71)51(75)65-44(55(79)68-26-10-14-45(68)53(77)61-39(13-6-9-25-58)49(73)62-40(48(60)72)27-36-17-21-38(70)22-18-36)31-83-84-32-57(23-7-8-24-57)56(80)66-42(29-35-15-19-37(20-16-35)69(81)82)50(74)63-41(52(76)67-47)28-34-11-4-3-5-12-34/h3-5,11-12,15-22,33,39-45,47,70H,6-10,13-14,23-32,58H2,1-2H3,(H2,59,71)(H2,60,72)(H,61,77)(H,62,73)(H,63,74)(H,64,78)(H,65,75)(H,66,80)(H,67,76)/t39-,40+,41-,42-,43-,44-,45-,47-/m0/s1
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n/an/an/a 3.20n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Negative log of Kd for Vasopressin V1 receptor


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50406622
PNG
(CHEMBL2115364)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)C(C)(C)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)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C55H74N14O11S2/c1-31(2)45-52(78)63-41(28-44(57)71)49(75)64-42(53(79)69-24-10-14-43(69)51(77)60-37(13-8-9-23-56)47(73)61-38(46(58)72)25-34-17-21-36(70)22-18-34)29-81-82-30-55(3,4)54(80)65-40(27-33-15-19-35(20-16-33)67-68-59)48(74)62-39(50(76)66-45)26-32-11-6-5-7-12-32/h5-7,11-12,15-22,31,37-43,45,70H,8-10,13-14,23-30,56H2,1-4H3,(H2,57,71)(H2,58,72)(H,60,77)(H,61,73)(H,62,74)(H,63,78)(H,64,75)(H,65,80)(H,66,76)/t37-,38-,39-,40-,41-,42-,43-,45-/m0/s1
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n/an/an/a 0.479n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Negative log of Kd.


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50008096
PNG
(CHEMBL2372414 | cyclo(Ppa-Phe(N3)-Phe-Val-Asn-Cys)...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)C2(CCCC2)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)N[C@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H76N14O11S2/c1-33(2)47-54(80)65-43(30-46(59)73)51(77)66-44(55(81)71-26-10-14-45(71)53(79)62-39(13-6-9-25-58)49(75)63-40(48(60)74)27-36-17-21-38(72)22-18-36)31-83-84-32-57(23-7-8-24-57)56(82)67-42(29-35-15-19-37(20-16-35)69-70-61)50(76)64-41(52(78)68-47)28-34-11-4-3-5-12-34/h3-5,11-12,15-22,33,39-45,47,72H,6-10,13-14,23-32,58H2,1-2H3,(H2,59,73)(H2,60,74)(H,62,79)(H,63,75)(H,64,76)(H,65,80)(H,66,77)(H,67,82)(H,68,78)/t39-,40+,41-,42-,43-,44-,45-,47-/m0/s1
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n/an/an/a 35n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Negative log of Kd for Vasopressin V1 receptor


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50008084
PNG
(1-[13-Benzyl-7-carbamoylmethyl-10-isopropyl-16-(4-...)
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](Cc2ccc(cc2)[N+]([O-])=O)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/C46H64N16O14S2/c47-27-21-77-78-22-33(45(74)61-16-2-4-34(61)44(73)56-28(3-1-15-53-46(51)52)39(68)54-20-37(50)66)60-43(72)32(19-36(49)65)59-40(69)29(13-14-35(48)64)55-41(70)31(17-23-5-9-25(10-6-23)62(75)76)58-42(71)30(57-38(27)67)18-24-7-11-26(63)12-8-24/h5-12,27-34,63H,1-4,13-22,47H2,(H2,48,64)(H2,49,65)(H2,50,66)(H,54,68)(H,55,70)(H,56,73)(H,57,67)(H,58,71)(H,59,69)(H,60,72)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/a 41n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Negative log of Kd for Vasopressin V1 receptor


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50008088
PNG
(CHEMBL2372416 | cyclo(Depa-Phe(N3)-Phe-Val-Asn-Cys...)
Show SMILES CCC1(CC)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H78N14O11S2/c1-5-57(6-2)32-84-83-31-44(55(81)71-26-12-16-45(71)53(79)62-39(15-10-11-25-58)49(75)63-40(48(60)74)27-36-19-23-38(72)24-20-36)66-51(77)43(30-46(59)73)65-54(80)47(33(3)4)68-52(78)41(28-34-13-8-7-9-14-34)64-50(76)42(67-56(57)82)29-35-17-21-37(22-18-35)69-70-61/h7-9,13-14,17-24,33,39-45,47,72H,5-6,10-12,15-16,25-32,58H2,1-4H3,(H2,59,73)(H2,60,74)(H,62,79)(H,63,75)(H,64,76)(H,65,80)(H,66,77)(H,67,82)(H,68,78)/t39-,40+,41-,42-,43-,44-,45-,47-/m0/s1
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n/an/an/a 2.60n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Negative log of Kd for Vasopressin V1 receptor


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50008083
PNG
(CHEMBL2372418 | [2-({1-[19-Amino-10-(2-carbamoyl-e...)
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](Cc2ccc(cc2)[N+]([O-])=O)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/C46H64N16O14S2/c47-27-21-77-78-22-33(45(74)61-16-2-4-34(61)44(73)56-28(3-1-15-53-46(51)52)39(68)54-20-37(50)66)60-43(72)32(19-36(49)65)59-40(69)29(13-14-35(48)64)55-41(70)31(17-23-5-9-25(10-6-23)62(75)76)58-42(71)30(57-38(27)67)18-24-7-11-26(63)12-8-24/h5-12,27-34,63H,1-4,13-22,47H2,(H2,48,64)(H2,49,65)(H2,50,66)(H,54,68)(H,55,70)(H,56,73)(H,57,67)(H,58,71)(H,59,69)(H,60,72)(H4,51,52,53)/t27-,28-,29-,30+,31-,32-,33-,34-/m0/s1
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n/an/an/a 54n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Negative log of Kd for Vasopressin V1 receptor


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50008085
PNG
(CHEMBL2028984 | [2-({1-[19-Amino-13-(4-azido-benzy...)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)Cc2ccncc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc1
Show InChI InChI=1S/C57H82N16O12/c1-5-38(54(82)73-28-12-17-44(73)52(80)68-39(15-10-24-64-56(59)60)48(76)69-40(55(83)84)16-11-25-65-57(61)62)67-50(78)43(32-45(58)74)71-53(81)47(33(3)4)72-51(79)42(29-34-13-8-7-9-14-34)70-49(77)41(30-35-18-20-37(21-19-35)85-6-2)66-46(75)31-36-22-26-63-27-23-36/h7-9,13-14,18-23,26-27,33,38-44,47H,5-6,10-12,15-17,24-25,28-32H2,1-4H3,(H2,58,74)(H,66,75)(H,67,78)(H,68,80)(H,69,76)(H,70,77)(H,71,81)(H,72,79)(H,83,84)(H4,59,60,64)(H4,61,62,65)/t38-,39-,40-,41+,42-,43-,44-,47-/m0/s1
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n/an/an/a 76n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Negative log of Kd for Vasopressin V1 receptor


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50453152
PNG
(CHEMBL2115365)
Show SMILES CCC1(CC)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC1=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C57H78N12O13S2/c1-5-57(6-2)32-84-83-31-44(55(79)68-26-12-16-45(68)53(77)61-39(15-10-11-25-58)49(73)62-40(48(60)72)27-36-19-23-38(70)24-20-36)65-51(75)43(30-46(59)71)64-54(78)47(33(3)4)67-52(76)41(28-34-13-8-7-9-14-34)63-50(74)42(66-56(57)80)29-35-17-21-37(22-18-35)69(81)82/h7-9,13-14,17-24,33,39-45,47,70H,5-6,10-12,15-16,25-32,58H2,1-4H3,(H2,59,71)(H2,60,72)(H,61,77)(H,62,73)(H,63,74)(H,64,78)(H,65,75)(H,66,80)(H,67,76)/t39-,40-,41-,42-,43-,44-,45-,47-/m0/s1
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n/an/an/a 0.191n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Negative log of Kd for Vasopressin V1 receptor


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50453150
PNG
(CHEMBL2372420)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)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)N[C@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C53H70N12O13S2/c1-30(2)45-52(75)61-40(28-43(55)67)49(72)62-41(53(76)64-23-8-12-42(64)51(74)58-36(11-6-7-22-54)47(70)59-37(46(56)69)25-33-15-19-35(66)20-16-33)29-80-79-24-21-44(68)57-38(27-32-13-17-34(18-14-32)65(77)78)48(71)60-39(50(73)63-45)26-31-9-4-3-5-10-31/h3-5,9-10,13-20,30,36-42,45,66H,6-8,11-12,21-29,54H2,1-2H3,(H2,55,67)(H2,56,69)(H,57,68)(H,58,74)(H,59,70)(H,60,71)(H,61,75)(H,62,72)(H,63,73)/t36-,37+,38-,39-,40-,41-,42-,45-/m0/s1
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n/an/an/a 27n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Binding potency against Vasopressin V1 receptor in rat liver cells.


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50453151
PNG
(CHEMBL2372421)
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](Cc2ccc(cc2)N=[N+]=[N-])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/C46H64N18O12S2/c47-27-21-77-78-22-33(45(76)64-16-2-4-34(64)44(75)57-28(3-1-15-54-46(51)52)39(70)55-20-37(50)68)61-43(74)32(19-36(49)67)60-40(71)29(13-14-35(48)66)56-41(72)31(17-23-5-9-25(10-6-23)62-63-53)59-42(73)30(58-38(27)69)18-24-7-11-26(65)12-8-24/h5-12,27-34,65H,1-4,13-22,47H2,(H2,48,66)(H2,49,67)(H2,50,68)(H,55,70)(H,56,72)(H,57,75)(H,58,69)(H,59,73)(H,60,71)(H,61,74)(H4,51,52,54)/t27-,28-,29-,30+,31-,32-,33-,34-/m0/s1
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n/an/an/a 33n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Binding potency against Vasopressin V1 receptor in rat liver cells.


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50453148
PNG
(CHEMBL2372422)
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](Cc2ccc(cc2)N=[N+]=[N-])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/C46H64N18O12S2/c47-27-21-77-78-22-33(45(76)64-16-2-4-34(64)44(75)57-28(3-1-15-54-46(51)52)39(70)55-20-37(50)68)61-43(74)32(19-36(49)67)60-40(71)29(13-14-35(48)66)56-41(72)31(17-23-5-9-25(10-6-23)62-63-53)59-42(73)30(58-38(27)69)18-24-7-11-26(65)12-8-24/h5-12,27-34,65H,1-4,13-22,47H2,(H2,48,66)(H2,49,67)(H2,50,68)(H,55,70)(H,56,72)(H,57,75)(H,58,69)(H,59,73)(H,60,71)(H,61,74)(H4,51,52,54)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/a 16n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Binding potency against Vasopressin V1 receptor in rat liver cells.


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50038603
PNG
(3-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1cccc(c1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)27-20-37-11-5-12-40(31-37)80-81-71)50(34-39-18-23-42(85)24-19-39)60(95)79-47(33-36-9-3-2-4-10-36)57(92)74-44(25-26-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(14-7-29-73-63(69)70)61(96)83-30-8-15-49(83)59(94)75-43(13-6-28-72-62(67)68)55(90)77-46(54(66)89)32-38-16-21-41(84)22-17-38/h2-5,9-12,16-19,21-24,31,43-50,84-85H,6-8,13-15,20,25-30,32-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/a 0.0540n/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for dissociation constant at V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50038599
PNG
(4-N3-C6H4CH2CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C64H86N20O13/c1-83(54(89)15-5-11-37-16-22-41(23-17-37)81-82-72)51(35-40-20-26-43(86)27-21-40)61(96)80-48(34-38-9-3-2-4-10-38)58(93)75-45(28-29-52(65)87)57(92)79-49(36-53(66)88)59(94)77-46(13-7-31-74-64(70)71)62(97)84-32-8-14-50(84)60(95)76-44(12-6-30-73-63(68)69)56(91)78-47(55(67)90)33-39-18-24-42(85)25-19-39/h2-4,9-10,16-27,44-51,85-86H,5-8,11-15,28-36H2,1H3,(H2,65,87)(H2,66,88)(H2,67,90)(H,75,93)(H,76,95)(H,77,94)(H,78,91)(H,79,92)(H,80,96)(H4,68,69,73)(H4,70,71,74)/t44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/an/a 0.0400n/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for dissociation constant at V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50038602
PNG
(4-N3-C6H4CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Arg-T...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C62H82N20O13/c1-81(52(87)33-38-13-19-39(20-14-38)79-80-70)49(32-37-17-23-41(84)24-18-37)59(94)78-46(31-35-8-3-2-4-9-35)56(91)73-43(25-26-50(63)85)55(90)77-47(34-51(64)86)57(92)75-44(11-6-28-72-62(68)69)60(95)82-29-7-12-48(82)58(93)74-42(10-5-27-71-61(66)67)54(89)76-45(53(65)88)30-36-15-21-40(83)22-16-36/h2-4,8-9,13-24,42-49,83-84H,5-7,10-12,25-34H2,1H3,(H2,63,85)(H2,64,86)(H2,65,88)(H,73,91)(H,74,93)(H,75,92)(H,76,89)(H,77,90)(H,78,94)(H4,66,67,71)(H4,68,69,72)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/an/a 0.150n/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for dissociation constant at V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50407343
PNG
(CHEMBL412806)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(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/C50H75N15O11S2/c1-3-27(2)41-47(75)61-32(15-16-37(51)66)43(71)62-34(23-38(52)67)44(72)63-35(48(76)65-20-10-14-36(65)46(74)60-31(13-9-19-56-49(54)55)42(70)57-25-39(53)68)26-77-78-50(17-7-4-8-18-50)24-40(69)59-33(45(73)64-41)22-29-21-28-11-5-6-12-30(28)58-29/h5-6,11-12,21,27,31-36,41,58H,3-4,7-10,13-20,22-26H2,1-2H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,57,70)(H,59,69)(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,73)(H4,54,55,56)/t27-,31-,32-,33-,34+,35+,36-,41+/m0/s1
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n/an/an/a>501n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Antidiuretic activity at V2 receptor


J Med Chem 38: 1762-9 (1995)


Article DOI: 10.1021/jm00010a020
BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50038601
PNG
(4-N3-C6H4CH2CH2CO-D-Tyr(Me)-Phe-Gln-Asn-Arg-Pro-Ar...)
Show SMILES CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C63H84N20O13/c1-82(53(88)28-19-36-13-20-40(21-14-36)80-81-71)50(34-39-17-24-42(85)25-18-39)60(95)79-47(33-37-8-3-2-4-9-37)57(92)74-44(26-27-51(64)86)56(91)78-48(35-52(65)87)58(93)76-45(11-6-30-73-63(69)70)61(96)83-31-7-12-49(83)59(94)75-43(10-5-29-72-62(67)68)55(90)77-46(54(66)89)32-38-15-22-41(84)23-16-38/h2-4,8-9,13-18,20-25,43-50,84-85H,5-7,10-12,19,26-35H2,1H3,(H2,64,86)(H2,65,87)(H2,66,89)(H,74,92)(H,75,94)(H,76,93)(H,77,90)(H,78,91)(H,79,95)(H4,67,68,72)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/a 0.190n/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
Tested for dissociation constant at V1a receptor of rat liver membrane


J Med Chem 37: 1841-9 (1994)


Article DOI: 10.1021/jm00038a013
BindingDB Entry DOI: 10.7270/Q2R49PST
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50077136
PNG
(CHEMBL3416749)
Show SMILES OC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)NCCCCCC(=O)NCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C54H48ClN7O12S/c55-34-13-15-35(16-14-34)62(31-49(67)60-61-51-40-6-3-4-7-44(40)59-53(51)69)75(72,73)38-19-9-32(10-20-38)11-24-48(66)57-27-26-56-47(65)8-2-1-5-25-58-52(68)33-12-21-39(43(28-33)54(70)71)50-41-22-17-36(63)29-45(41)74-46-30-37(64)18-23-42(46)50/h3-4,6-7,9-10,12-23,28-30,63H,1-2,5,8,11,24-27,31H2,(H,56,65)(H,57,66)(H,58,68)(H,60,67)(H,70,71)(H,59,61,69)
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n/an/an/a 135n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 58: 2547-52 (2015)


Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50077135
PNG
(CHEMBL3416750)
Show SMILES CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(cc2)S(=O)(=O)N(CC(=O)N\N=C2/C(=O)Nc3ccccc23)c2ccc(Cl)cc2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C59H63ClN8O12S3/c1-6-66-49-31-29-43(82(75,76)77)36-47(49)59(5,52(66)17-10-8-9-16-51-58(3,4)46-30-28-44(83(78,79)80)37-50(46)67(51)7-2)33-13-18-53(69)61-34-35-62-54(70)32-21-39-19-26-42(27-20-39)81(73,74)68(41-24-22-40(60)23-25-41)38-55(71)64-65-56-45-14-11-12-15-48(45)63-57(56)72/h8-12,14-17,19-20,22-31,36-37H,6-7,13,18,21,32-35,38H2,1-5H3,(H5-,61,62,63,64,65,69,70,71,72,75,76,77,78,79,80)
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n/an/an/a 31n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 58: 2547-52 (2015)


Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50077134
PNG
(CHEMBL3416751)
Show SMILES COc1ccc(c[nH+]1)-n1c(COCCOCCOCCOCCNC(=O)CCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nnc1N1CC(C1)Oc1ccc(F)cc1Cl
Show InChI InChI=1S/C53H55ClFN7O13/c1-69-49-15-8-35(29-58-49)62-47(59-60-53(62)61-30-38(31-61)74-44-14-7-34(55)26-43(44)54)32-73-24-23-72-22-21-71-20-19-70-18-17-56-48(65)5-3-2-4-16-57-51(66)33-6-11-39(42(25-33)52(67)68)50-40-12-9-36(63)27-45(40)75-46-28-37(64)10-13-41(46)50/h6-15,25-29,38,63H,2-5,16-24,30-32H2,1H3,(H,56,65)(H,57,66)(H,67,68)/p+1
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n/an/an/a>1.00E+3n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 58: 2547-52 (2015)


Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50077139
PNG
(CHEMBL3416752)
Show SMILES COc1ccc(c[nH+]1)-n1c(COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nnc1N1CC(C1)Oc1ccc(F)cc1Cl
Show InChI InChI=1S/C61H71ClFN7O17/c1-77-57-15-8-43(37-66-57)70-55(67-68-61(70)69-38-46(39-69)86-52-14-7-42(63)34-51(52)62)40-85-32-31-84-30-29-83-28-27-82-26-25-81-24-23-80-22-21-79-20-19-78-18-17-64-56(73)5-3-2-4-16-65-59(74)41-6-11-47(50(33-41)60(75)76)58-48-12-9-44(71)35-53(48)87-54-36-45(72)10-13-49(54)58/h6-15,33-37,46,71H,2-5,16-32,38-40H2,1H3,(H,64,73)(H,65,74)(H,75,76)/p+1
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n/an/an/a>1.00E+3n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 58: 2547-52 (2015)


Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50077138
PNG
(CHEMBL3416753)
Show SMILES CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(C3)Oc3ccc(F)cc3Cl)n2-c2ccc(OC)[nH+]c2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C58H70ClFN8O13S2.C2HF3O2/c1-7-66-48-21-19-43(82(70,71)72)34-46(48)58(5,52(66)14-11-9-10-13-51-57(3,4)45-20-18-44(83(73,74)75)35-49(45)67(51)8-2)24-12-15-54(69)61-25-26-77-27-28-78-29-30-79-31-32-80-39-53-63-64-56(68(53)41-17-23-55(76-6)62-36-41)65-37-42(38-65)81-50-22-16-40(60)33-47(50)59;3-2(4,5)1(6)7/h9-11,13-14,16-23,33-36,42H,7-8,12,15,24-32,37-39H2,1-6H3,(H2-,61,69,70,71,72,73,74,75);(H,6,7)
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n/an/an/a 509n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 58: 2547-52 (2015)


Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50077137
PNG
(CHEMBL3416754)
Show SMILES CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(C3)Oc3ccc(F)cc3Cl)n2-c2ccc(OC)[nH+]c2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C66H86ClFN8O17S2.C2HF3O2/c1-7-74-56-21-19-51(94(78,79)80)42-54(56)66(5,60(74)14-11-9-10-13-59-65(3,4)53-20-18-52(95(81,82)83)43-57(53)75(59)8-2)24-12-15-62(77)69-25-26-85-27-28-86-29-30-87-31-32-88-33-34-89-35-36-90-37-38-91-39-40-92-47-61-71-72-64(76(61)49-17-23-63(84-6)70-44-49)73-45-50(46-73)93-58-22-16-48(68)41-55(58)67;3-2(4,5)1(6)7/h9-11,13-14,16-23,41-44,50H,7-8,12,15,24-40,45-47H2,1-6H3,(H2-,69,77,78,79,80,81,82,83);(H,6,7)
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n/an/an/a 353n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to V2R (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 58: 2547-52 (2015)


Article DOI: 10.1021/jm501395b
BindingDB Entry DOI: 10.7270/Q2TB18KT
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50075817
PNG
(CHEMBL2371240 | Mpa-Car-lle-Gln-Asn-Cys-Sar-Arg-Gl...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H]2N(CCc3c2[nH]c2ccccc32)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H65N15O11S2/c1-4-22(2)35-41(68)54-27(11-12-30(45)60)39(66)55-28(18-31(46)61)40(67)56-29(43(70)58(3)20-33(63)52-26(10-7-15-50-44(48)49)38(65)51-19-32(47)62)21-72-71-17-14-34(64)59-16-13-24-23-8-5-6-9-25(23)53-36(24)37(59)42(69)57-35/h5-6,8-9,22,26-29,35,37,53H,4,7,10-21H2,1-3H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,63)(H,54,68)(H,55,66)(H,56,67)(H,57,69)(H4,48,49,50)/t22-,26-,27-,28-,29+,35-,37-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Bioorg Med Chem Lett 9: 667-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00041-4
BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50075816
PNG
(CHEMBL264208 | Mca1,D-Trp2,Sar7AVT)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C51H68N14O15S/c1-5-25(2)43(64-48(76)34(17-26-21-57-31-10-7-6-9-28(26)31)61-44(72)30-19-42(71)80-37-18-27(79-4)12-13-29(30)37)49(77)60-33(14-15-38(52)66)46(74)62-35(20-39(53)67)47(75)63-36(24-81)50(78)65(3)23-40(68)59-32(11-8-16-56-51(54)55)45(73)58-22-41(69)70/h6-7,9-10,12-13,18-19,21,25,32-36,43,57,81H,5,8,11,14-17,20,22-24H2,1-4H3,(H2,52,66)(H2,53,67)(H,58,73)(H,59,68)(H,60,77)(H,61,72)(H,62,74)(H,63,75)(H,64,76)(H,69,70)(H4,54,55,56)/t25-,32-,33-,34+,35-,36-,43-/m0/s1
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n/an/an/a 3n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Bioorg Med Chem Lett 9: 667-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00041-4
BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50075820
PNG
(CHEMBL405165 | Mpa-D-Trp-lle-Gln-Asn-Cys-Sar-Arg-G...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H65N15O11S2/c1-4-22(2)36-41(68)54-27(11-12-31(44)59)38(65)55-29(17-32(45)60)39(66)56-30(42(69)58(3)20-35(63)52-26(10-7-14-49-43(47)48)37(64)51-19-33(46)61)21-71-70-15-13-34(62)53-28(40(67)57-36)16-23-18-50-25-9-6-5-8-24(23)25/h5-6,8-9,18,22,26-30,36,50H,4,7,10-17,19-21H2,1-3H3,(H2,44,59)(H2,45,60)(H2,46,61)(H,51,64)(H,52,63)(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,67)(H4,47,48,49)/t22-,26-,27+,28-,29-,30-,36-/m0/s1
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n/an/an/a 4.96E+3n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Bioorg Med Chem Lett 9: 667-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00041-4
BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50075818
PNG
(CHEMBL157988 | Mpa1,D-Phe2,Sar7AVT)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C41H63N13O12S2/c1-4-22(2)34-39(65)50-25(12-13-29(42)55)36(62)51-27(18-30(43)56)37(63)52-28(21-68-67-16-14-31(57)49-26(38(64)53-34)17-23-9-6-5-7-10-23)40(66)54(3)20-32(58)48-24(11-8-15-46-41(44)45)35(61)47-19-33(59)60/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,55)(H2,43,56)(H,47,61)(H,48,58)(H,49,57)(H,50,65)(H,51,62)(H,52,63)(H,53,64)(H,59,60)(H4,44,45,46)/t22-,24-,25+,26-,27-,28-,34-/m0/s1
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n/an/an/a 421n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Bioorg Med Chem Lett 9: 667-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00041-4
BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50008091
PNG
(1-[16-(4-Azido-benzyl)-13-benzyl-7-carbamoylmethyl...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])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)N[C@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C53H70N14O11S2/c1-30(2)45-52(77)62-40(28-43(55)69)49(74)63-41(53(78)67-23-8-12-42(67)51(76)59-36(11-6-7-22-54)47(72)60-37(46(56)71)25-33-15-19-35(68)20-16-33)29-80-79-24-21-44(70)58-38(27-32-13-17-34(18-14-32)65-66-57)48(73)61-39(50(75)64-45)26-31-9-4-3-5-10-31/h3-5,9-10,13-20,30,36-42,45,68H,6-8,11-12,21-29,54H2,1-2H3,(H2,55,69)(H2,56,71)(H,58,70)(H,59,76)(H,60,72)(H,61,73)(H,62,77)(H,63,74)(H,64,75)/t36-,37+,38-,39-,40-,41-,42-,45-/m0/s1
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n/an/an/a 5n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Binding potency against Vasopressin V1 receptor in rat liver cells.


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50008097
PNG
(CHEMBL2028983 | [2-({1-[19-Amino-13-(4-azido-benzy...)
Show SMILES C[C@H](N(C)C(=O)[C@H]1CSSCC2(CCCC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCC\N=C(\N)c1ccc(cc1)N=[N+]=[N-])C(N)=O
Show InChI InChI=1S/C60H83N19O12S2/c1-34(51(84)71-41(14-10-28-69-59(65)66)52(85)70-40(50(64)83)13-6-9-27-68-49(63)37-17-19-38(20-18-37)77-78-67)79(2)57(90)46-32-92-93-33-60(25-7-8-26-60)58(91)76-44(30-36-15-21-39(80)22-16-36)55(88)73-43(29-35-11-4-3-5-12-35)54(87)72-42(23-24-47(61)81)53(86)74-45(31-48(62)82)56(89)75-46/h3-5,11-12,15-22,34,40-46,80H,6-10,13-14,23-33H2,1-2H3,(H2,61,81)(H2,62,82)(H2,63,68)(H2,64,83)(H,70,85)(H,71,84)(H,72,87)(H,73,88)(H,74,86)(H,75,89)(H,76,91)(H4,65,66,69)/t34-,40-,41-,42-,43-,44-,45-,46+/m0/s1
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n/an/an/a 0.912n/an/an/an/an/a



University of Sherbrooke

Curated by ChEMBL


Assay Description
Binding potency against Vasopressin V1 receptor in rat liver cells.


J Med Chem 35: 151-7 (1992)


Article DOI: 10.1021/jm00079a020
BindingDB Entry DOI: 10.7270/Q2668DT9
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50397206
PNG
(CHEMBL2172289)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C71H76N10O11S2/c1-6-79-61-36-34-52(93(87,88)89)44-57(61)70(3,4)63(79)27-12-9-13-28-64-71(5,58-45-53(94(90,91)92)35-37-62(58)80(64)7-2)40-18-29-65(82)72-41-43-78-47-51(76-77-78)46-73-66(83)38-39-67(84)75-59-25-19-42-81(60-26-17-16-24-56(59)60)69(86)49-30-32-50(33-31-49)74-68(85)55-23-15-14-22-54(55)48-20-10-8-11-21-48/h8-17,20-24,26-28,30-37,44-45,47,59H,6-7,18-19,25,29,38-43,46H2,1-5H3,(H5-,72,73,74,75,82,83,84,85,86,87,88,89,90,91,92)
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n/an/an/a 1.38n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells after 1 hr by TR-FRET assay


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50397207
PNG
(CHEMBL2172288)
Show SMILES OC(=O)c1cc(NC(=S)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12
Show InChI InChI=1S/C66H63N9O12S/c76-47-21-24-53-58(38-47)87-59-39-48(77)22-25-54(59)62(53)50-23-20-45(37-55(50)65(82)83)70-66(88)67-28-31-84-33-35-86-36-34-85-32-30-74-41-46(72-73-74)40-68-60(78)26-27-61(79)71-56-14-8-29-75(57-15-7-6-13-52(56)57)64(81)43-16-18-44(19-17-43)69-63(80)51-12-5-4-11-49(51)42-9-2-1-3-10-42/h1-7,9-13,15-25,37-39,41,56,76H,8,14,26-36,40H2,(H,68,78)(H,69,80)(H,71,79)(H,82,83)(H2,67,70,88)
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n/an/an/a 11.1n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells after 1 hr by TR-FRET assay


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50397209
PNG
(CHEMBL2172291)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C83H100N10O17S2/c1-6-91-73-36-34-64(111(99,100)101)56-69(73)82(3,4)75(91)27-12-9-13-28-76-83(5,70-57-65(112(102,103)104)35-37-74(70)92(76)7-2)40-18-29-77(94)84-41-44-105-46-48-107-50-52-109-54-55-110-53-51-108-49-47-106-45-43-90-59-63(88-89-90)58-85-78(95)38-39-79(96)87-71-25-19-42-93(72-26-17-16-24-68(71)72)81(98)61-30-32-62(33-31-61)86-80(97)67-23-15-14-22-66(67)60-20-10-8-11-21-60/h8-17,20-24,26-28,30-37,56-57,59,71H,6-7,18-19,25,29,38-55,58H2,1-5H3,(H5-,84,85,86,87,94,95,96,97,98,99,100,101,102,103,104)
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n/an/an/a 2.53n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells after 1 hr by TR-FRET assay


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50397210
PNG
(CHEMBL2172290)
Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C77H88N10O14S2/c1-6-85-67-36-34-58(102(93,94)95)50-63(67)76(3,4)69(85)27-12-9-13-28-70-77(5,64-51-59(103(96,97)98)35-37-68(64)86(70)7-2)40-18-29-71(88)78-41-44-99-46-48-101-49-47-100-45-43-84-53-57(82-83-84)52-79-72(89)38-39-73(90)81-65-25-19-42-87(66-26-17-16-24-62(65)66)75(92)55-30-32-56(33-31-55)80-74(91)61-23-15-14-22-60(61)54-20-10-8-11-21-54/h8-17,20-24,26-28,30-37,50-51,53,65H,6-7,18-19,25,29,38-49,52H2,1-5H3,(H5-,78,79,80,81,88,89,90,91,92,93,94,95,96,97,98)
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n/an/an/a 2.33n/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells after 1 hr by TR-FRET assay


J Med Chem 55: 8588-602 (2012)


Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5
More data for this
Ligand-Target Pair
Vasopressin receptor


(Rattus norvegicus (Rat))
BDBM50075817
PNG
(CHEMBL2371240 | Mpa-Car-lle-Gln-Asn-Cys-Sar-Arg-Gl...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H]2N(CCc3c2[nH]c2ccccc32)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Show InChI InChI=1S/C44H65N15O11S2/c1-4-22(2)35-41(68)54-27(11-12-30(45)60)39(66)55-28(18-31(46)61)40(67)56-29(43(70)58(3)20-33(63)52-26(10-7-15-50-44(48)49)38(65)51-19-32(47)62)21-72-71-17-14-34(64)59-16-13-24-23-8-5-6-9-25(23)53-36(24)37(59)42(69)57-35/h5-6,8-9,22,26-29,35,37,53H,4,7,10-21H2,1-3H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,63)(H,54,68)(H,55,66)(H,56,67)(H,57,69)(H4,48,49,50)/t22-,26-,27-,28-,29+,35-,37-/m0/s1
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n/an/an/a>1.00E+5n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Bioorg Med Chem Lett 9: 667-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00041-4
BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50406172
PNG
(CHEMBL2373516)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChI InChI=1S/C54H77N13O10/c1-4-77-37-24-22-36(23-25-37)30-40(61-45(69)31-35-17-9-6-10-18-35)48(71)64-41(29-34-15-7-5-8-16-34)50(73)66-46(33(2)3)52(75)65-42(32-44(56)68)49(72)63-39(19-11-12-26-55)53(76)67-28-14-21-43(67)51(74)62-38(47(57)70)20-13-27-60-54(58)59/h5-10,15-18,22-25,33,38-43,46H,4,11-14,19-21,26-32,55H2,1-3H3,(H2,56,68)(H2,57,70)(H,61,69)(H,62,74)(H,63,72)(H,64,71)(H,65,75)(H,66,73)(H4,58,59,60)/t38-,39-,40+,41-,42-,43+,46-/m0/s1
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n/an/an/a 15.5n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50406173
PNG
(CHEMBL410838)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1
Show InChI InChI=1S/C58H84N16O11/c1-4-85-39-25-23-38(24-26-39)32-42(68-47(76)33-37-17-9-6-10-18-37)53(81)71-43(31-36-15-7-5-8-16-36)54(82)73-49(35(2)3)56(84)72-44(34-46(59)75)51(79)65-27-13-22-48(77)74-30-14-21-45(74)55(83)70-41(20-12-29-67-58(63)64)52(80)69-40(50(60)78)19-11-28-66-57(61)62/h5-10,15-18,23-26,35,40-45,49H,4,11-14,19-22,27-34H2,1-3H3,(H2,59,75)(H2,60,78)(H,65,79)(H,68,76)(H,69,80)(H,70,83)(H,71,81)(H,72,84)(H,73,82)(H4,61,62,66)(H4,63,64,67)/t40-,41-,42+,43-,44-,45+,49-/m0/s1
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n/an/an/a 10.2n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50406174
PNG
(CHEMBL269251)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1
Show InChI InChI=1S/C51H81N15O10/c1-9-76-33-21-19-32(20-22-33)26-36(60-40(68)28-51(5,6)7)44(71)63-37(25-31-15-11-10-12-16-31)46(73)65-41(29(2)3)47(74)64-38(27-39(52)67)45(72)62-35(18-14-24-59-50(56)57)48(75)66(8)30(4)43(70)61-34(42(53)69)17-13-23-58-49(54)55/h10-12,15-16,19-22,29-30,34-38,41H,9,13-14,17-18,23-28H2,1-8H3,(H2,52,67)(H2,53,69)(H,60,68)(H,61,70)(H,62,72)(H,63,71)(H,64,74)(H,65,73)(H4,54,55,58)(H4,56,57,59)/t30-,34-,35-,36+,37-,38-,41-/m0/s1
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n/an/an/a 251n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50406177
PNG
(CHEMBL406184)
Show SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
Show InChI InChI=1S/C53H77N13O11S2/c1-4-77-34-19-17-33(18-20-34)26-36-46(71)62-37(25-32-13-7-5-8-14-32)48(73)65-44(31(2)3)50(75)63-38(27-41(54)67)47(72)64-39(30-78-79-53(28-43(69)60-36)21-9-6-10-22-53)51(76)66-24-12-16-40(66)49(74)61-35(15-11-23-58-52(56)57)45(70)59-29-42(55)68/h5,7-8,13-14,17-20,31,35-40,44H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,67)(H2,55,68)(H,59,70)(H,60,69)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,73)(H4,56,57,58)/t35-,36+,37+,38+,39+,40-,44-/m0/s1
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n/an/an/a 15.5n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50406178
PNG
(CHEMBL408038)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)CC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1
Show InChI InChI=1S/C62H94N16O11/c1-4-89-42-20-18-38(19-21-42)30-45(72-50(80)35-62-32-39-26-40(33-62)28-41(27-39)34-62)56(85)75-46(29-37-12-6-5-7-13-37)57(86)77-52(36(2)3)59(88)76-47(31-49(63)79)54(83)69-22-10-17-51(81)78-25-11-16-48(78)58(87)74-44(15-9-24-71-61(67)68)55(84)73-43(53(64)82)14-8-23-70-60(65)66/h5-7,12-13,18-21,36,39-41,43-48,52H,4,8-11,14-17,22-35H2,1-3H3,(H2,63,79)(H2,64,82)(H,69,83)(H,72,80)(H,73,84)(H,74,87)(H,75,85)(H,76,88)(H,77,86)(H4,65,66,70)(H4,67,68,71)/t39-,40+,41-,43-,44-,45+,46-,47-,48+,52-,62?/m0/s1
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n/an/an/a 7.76n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50406180
PNG
(CHEMBL267111)
Show SMILES CCOc1ccc(C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1
Show InChI InChI=1S/C56H88N16O11/c1-7-83-36-23-21-35(22-24-36)30-39(66-44(74)32-56(4,5)6)50(79)69-40(29-34-15-9-8-10-16-34)51(80)71-46(33(2)3)53(82)70-41(31-43(57)73)48(77)63-25-13-20-45(75)72-28-14-19-42(72)52(81)68-38(18-12-27-65-55(61)62)49(78)67-37(47(58)76)17-11-26-64-54(59)60/h8-10,15-16,21-24,33,37-42,46H,7,11-14,17-20,25-32H2,1-6H3,(H2,57,73)(H2,58,76)(H,63,77)(H,66,74)(H,67,78)(H,68,81)(H,69,79)(H,70,82)(H,71,80)(H4,59,60,64)(H4,61,62,65)/t37-,38-,39+,40-,41-,42+,46-/m0/s1
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n/an/an/a 12.3n/an/an/an/an/a



Medical College of Ohio

Curated by ChEMBL


Assay Description
Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats


J Med Chem 33: 3079-86 (1990)


Article DOI: 10.1021/jm00173a027
BindingDB Entry DOI: 10.7270/Q2TH8NX7
More data for this
Ligand-Target Pair
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