Compile Data Set for Download or QSAR
Found 49 Enz. Inhib. hit(s) with all data for entry = 50001189
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50205990(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]OT from human mammary gland oxytocin receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50044777(Arginine Vasopressin | Beta-Hypophamine | CHEBI:34...)
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](CCCNC(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
Affinity DataKi:  2nMAssay Description:Displacement of [3H]AVP from human liver vasopressin V1a receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50044777(Arginine Vasopressin | Beta-Hypophamine | CHEBI:34...)
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](CCCNC(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
Affinity DataKi:  2nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50044777(Arginine Vasopressin | Beta-Hypophamine | CHEBI:34...)
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](CCCNC(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
Affinity DataKi:  6nMAssay Description:Displacement of [3H]OT from human mammary gland oxytocin receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50205990(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
Affinity DataKi:  20nMAssay Description:Displacement of [3H]AVP from human liver vasopressin V1a receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataKi:  30nMAssay Description:Displacement of [3H]AVP from human liver vasopressin V1a receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50044777(Arginine Vasopressin | Beta-Hypophamine | CHEBI:34...)
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](CCCNC(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
Affinity DataKi:  32nMAssay Description:Displacement of [3H]AVP from human kidney vasopressin V2 receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271608(CHEMBL4129142)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[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](CC(C)C)C(=O)NCC(N)=O)c2
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(15-16-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-18-7-10-39(62)49(72)59-35(20-28(2)3)45(68)55-24-42(54)66)27-76-26-32-9-6-8-31(21-32)25-75-19-17-43(67)56-36(48(71)61-44)22-30-11-13-33(63)14-12-30/h6,8-9,11-14,21,28-29,34-39,44,63H,5,7,10,15-20,22-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataKi:  50nMAssay Description:Displacement of [3H]OT from human mammary gland oxytocin receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271606(CHEMBL4127791)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(16-17-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-19-8-11-39(62)49(72)59-35(21-28(2)3)45(68)55-24-42(54)66)27-76-26-32-10-7-6-9-31(32)25-75-20-18-43(67)56-36(48(71)61-44)22-30-12-14-33(63)15-13-30/h6-7,9-10,12-15,28-29,34-39,44,63H,5,8,11,16-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataKi:  69nMAssay Description:Displacement of [3H]AVP from human liver vasopressin V1a receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271609(CHEMBL4128839)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[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](CC(C)C)C(=O)NCC(N)=O)cc2
Show InChI InChI=1S/C50H71N11O12S2/c1-5-28(4)43-49(72)56-33(16-17-39(51)63)45(68)57-36(23-40(52)64)46(69)59-37(50(73)61-19-6-7-38(61)48(71)58-34(21-27(2)3)44(67)54-24-41(53)65)26-75-32-14-10-30(11-15-32)25-74-20-18-42(66)55-35(47(70)60-43)22-29-8-12-31(62)13-9-29/h8-15,27-28,33-38,43,62H,5-7,16-26H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,67)(H,55,66)(H,56,72)(H,57,68)(H,58,71)(H,59,69)(H,60,70)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataKi:  142nMAssay Description:Displacement of [3H]OT from human mammary gland oxytocin receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataKi:  166nMAssay Description:Displacement of [3H]OT from human mammary gland oxytocin receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271606(CHEMBL4127791)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(16-17-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-19-8-11-39(62)49(72)59-35(21-28(2)3)45(68)55-24-42(54)66)27-76-26-32-10-7-6-9-31(32)25-75-20-18-43(67)56-36(48(71)61-44)22-30-12-14-33(63)15-13-30/h6-7,9-10,12-15,28-29,34-39,44,63H,5,8,11,16-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataKi:  220nMAssay Description:Displacement of [3H]OT from human mammary gland oxytocin receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271608(CHEMBL4129142)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[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](CC(C)C)C(=O)NCC(N)=O)c2
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(15-16-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-18-7-10-39(62)49(72)59-35(20-28(2)3)45(68)55-24-42(54)66)27-76-26-32-9-6-8-31(21-32)25-75-19-17-43(67)56-36(48(71)61-44)22-30-11-13-33(63)14-12-30/h6,8-9,11-14,21,28-29,34-39,44,63H,5,7,10,15-20,22-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataKi:  1.68E+3nMAssay Description:Displacement of [3H]AVP from human liver vasopressin V1a receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271609(CHEMBL4128839)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[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](CC(C)C)C(=O)NCC(N)=O)cc2
Show InChI InChI=1S/C50H71N11O12S2/c1-5-28(4)43-49(72)56-33(16-17-39(51)63)45(68)57-36(23-40(52)64)46(69)59-37(50(73)61-19-6-7-38(61)48(71)58-34(21-27(2)3)44(67)54-24-41(53)65)26-75-32-14-10-30(11-15-32)25-74-20-18-42(66)55-35(47(70)60-43)22-29-8-12-31(62)13-9-29/h8-15,27-28,33-38,43,62H,5-7,16-26H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,67)(H,55,66)(H,56,72)(H,57,68)(H,58,71)(H,59,69)(H,60,70)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataKi:  1.95E+3nMAssay Description:Displacement of [3H]AVP from human liver vasopressin V1a receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271606(CHEMBL4127791)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(16-17-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-19-8-11-39(62)49(72)59-35(21-28(2)3)45(68)55-24-42(54)66)27-76-26-32-10-7-6-9-31(32)25-75-20-18-43(67)56-36(48(71)61-44)22-30-12-14-33(63)15-13-30/h6-7,9-10,12-15,28-29,34-39,44,63H,5,8,11,16-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human kidney vasopressin V2 receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271609(CHEMBL4128839)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[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](CC(C)C)C(=O)NCC(N)=O)cc2
Show InChI InChI=1S/C50H71N11O12S2/c1-5-28(4)43-49(72)56-33(16-17-39(51)63)45(68)57-36(23-40(52)64)46(69)59-37(50(73)61-19-6-7-38(61)48(71)58-34(21-27(2)3)44(67)54-24-41(53)65)26-75-32-14-10-30(11-15-32)25-74-20-18-42(66)55-35(47(70)60-43)22-29-8-12-31(62)13-9-29/h8-15,27-28,33-38,43,62H,5-7,16-26H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,67)(H,55,66)(H,56,72)(H,57,68)(H,58,71)(H,59,69)(H,60,70)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human kidney vasopressin V2 receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271608(CHEMBL4129142)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[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](CC(C)C)C(=O)NCC(N)=O)c2
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(15-16-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-18-7-10-39(62)49(72)59-35(20-28(2)3)45(68)55-24-42(54)66)27-76-26-32-9-6-8-31(21-32)25-75-19-17-43(67)56-36(48(71)61-44)22-30-11-13-33(63)14-12-30/h6,8-9,11-14,21,28-29,34-39,44,63H,5,7,10,15-20,22-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human kidney vasopressin V2 receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50205990(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human kidney vasopressin V2 receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271609(CHEMBL4128839)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[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](CC(C)C)C(=O)NCC(N)=O)cc2
Show InChI InChI=1S/C50H71N11O12S2/c1-5-28(4)43-49(72)56-33(16-17-39(51)63)45(68)57-36(23-40(52)64)46(69)59-37(50(73)61-19-6-7-38(61)48(71)58-34(21-27(2)3)44(67)54-24-41(53)65)26-75-32-14-10-30(11-15-32)25-74-20-18-42(66)55-35(47(70)60-43)22-29-8-12-31(62)13-9-29/h8-15,27-28,33-38,43,62H,5-7,16-26H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,67)(H,55,66)(H,56,72)(H,57,68)(H,58,71)(H,59,69)(H,60,70)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271608(CHEMBL4129142)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[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](CC(C)C)C(=O)NCC(N)=O)c2
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(15-16-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-18-7-10-39(62)49(72)59-35(20-28(2)3)45(68)55-24-42(54)66)27-76-26-32-9-6-8-31(21-32)25-75-19-17-43(67)56-36(48(71)61-44)22-30-11-13-33(63)14-12-30/h6,8-9,11-14,21,28-29,34-39,44,63H,5,7,10,15-20,22-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50205990(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human kidney vasopressin V2 receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271606(CHEMBL4127791)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(16-17-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-19-8-11-39(62)49(72)59-35(21-28(2)3)45(68)55-24-42(54)66)27-76-26-32-10-7-6-9-31(32)25-75-20-18-43(67)56-36(48(71)61-44)22-30-12-14-33(63)15-13-30/h6-7,9-10,12-15,28-29,34-39,44,63H,5,8,11,16-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataKi: >6.00E+3nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in HEK293 cell membrane after 1 hr by scintillation counting methodMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataIC50: 14nMAssay Description:Antagonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium fl...More data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271606(CHEMBL4127791)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(16-17-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-19-8-11-39(62)49(72)59-35(21-28(2)3)45(68)55-24-42(54)66)27-76-26-32-10-7-6-9-31(32)25-75-20-18-43(67)56-36(48(71)61-44)22-30-12-14-33(63)15-13-30/h6-7,9-10,12-15,28-29,34-39,44,63H,5,8,11,16-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataIC50: 35nMAssay Description:Antagonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium fl...More data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataIC50: 1.72E+3nMAssay Description:Antagonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium f...More data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271608(CHEMBL4129142)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[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](CC(C)C)C(=O)NCC(N)=O)c2
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(15-16-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-18-7-10-39(62)49(72)59-35(20-28(2)3)45(68)55-24-42(54)66)27-76-26-32-9-6-8-31(21-32)25-75-19-17-43(67)56-36(48(71)61-44)22-30-11-13-33(63)14-12-30/h6,8-9,11-14,21,28-29,34-39,44,63H,5,7,10,15-20,22-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataIC50: 4.40E+3nMAssay Description:Antagonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium fl...More data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271609(CHEMBL4128839)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[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](CC(C)C)C(=O)NCC(N)=O)cc2
Show InChI InChI=1S/C50H71N11O12S2/c1-5-28(4)43-49(72)56-33(16-17-39(51)63)45(68)57-36(23-40(52)64)46(69)59-37(50(73)61-19-6-7-38(61)48(71)58-34(21-27(2)3)44(67)54-24-41(53)65)26-75-32-14-10-30(11-15-32)25-74-20-18-42(66)55-35(47(70)60-43)22-29-8-12-31(62)13-9-29/h8-15,27-28,33-38,43,62H,5-7,16-26H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,67)(H,55,66)(H,56,72)(H,57,68)(H,58,71)(H,59,69)(H,60,70)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataIC50: 7.86E+3nMAssay Description:Antagonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as inhibition of agonist-induced intracellular calcium fl...More data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271606(CHEMBL4127791)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(16-17-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-19-8-11-39(62)49(72)59-35(21-28(2)3)45(68)55-24-42(54)66)27-76-26-32-10-7-6-9-31(32)25-75-20-18-43(67)56-36(48(71)61-44)22-30-12-14-33(63)15-13-30/h6-7,9-10,12-15,28-29,34-39,44,63H,5,8,11,16-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataEC50:  294nMAssay Description:Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mi...More data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mi...More data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50205990(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
Affinity DataEC50:  9nMAssay Description:Agonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271608(CHEMBL4129142)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[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](CC(C)C)C(=O)NCC(N)=O)c2
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(15-16-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-18-7-10-39(62)49(72)59-35(20-28(2)3)45(68)55-24-42(54)66)27-76-26-32-9-6-8-31(21-32)25-75-19-17-43(67)56-36(48(71)61-44)22-30-11-13-33(63)14-12-30/h6,8-9,11-14,21,28-29,34-39,44,63H,5,7,10,15-20,22-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271609(CHEMBL4128839)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[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](CC(C)C)C(=O)NCC(N)=O)cc2
Show InChI InChI=1S/C50H71N11O12S2/c1-5-28(4)43-49(72)56-33(16-17-39(51)63)45(68)57-36(23-40(52)64)46(69)59-37(50(73)61-19-6-7-38(61)48(71)58-34(21-27(2)3)44(67)54-24-41(53)65)26-75-32-14-10-30(11-15-32)25-74-20-18-42(66)55-35(47(70)60-43)22-29-8-12-31(62)13-9-29/h8-15,27-28,33-38,43,62H,5-7,16-26H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,67)(H,55,66)(H,56,72)(H,57,68)(H,58,71)(H,59,69)(H,60,70)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271606(CHEMBL4127791)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(16-17-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-19-8-11-39(62)49(72)59-35(21-28(2)3)45(68)55-24-42(54)66)27-76-26-32-10-7-6-9-31(32)25-75-20-18-43(67)56-36(48(71)61-44)22-30-12-14-33(63)15-13-30/h6-7,9-10,12-15,28-29,34-39,44,63H,5,8,11,16-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50205990(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
Affinity DataEC50:  33nMAssay Description:Agonist activity at human vasopressin V1b receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by F...More data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271608(CHEMBL4129142)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[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](CC(C)C)C(=O)NCC(N)=O)c2
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(15-16-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-18-7-10-39(62)49(72)59-35(20-28(2)3)45(68)55-24-42(54)66)27-76-26-32-9-6-8-31(21-32)25-75-19-17-43(67)56-36(48(71)61-44)22-30-11-13-33(63)14-12-30/h6,8-9,11-14,21,28-29,34-39,44,63H,5,7,10,15-20,22-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataEC50:  2.97E+3nMAssay Description:Agonist activity at human vasopressin V1b receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by F...More data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271609(CHEMBL4128839)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[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](CC(C)C)C(=O)NCC(N)=O)cc2
Show InChI InChI=1S/C50H71N11O12S2/c1-5-28(4)43-49(72)56-33(16-17-39(51)63)45(68)57-36(23-40(52)64)46(69)59-37(50(73)61-19-6-7-38(61)48(71)58-34(21-27(2)3)44(67)54-24-41(53)65)26-75-32-14-10-30(11-15-32)25-74-20-18-42(66)55-35(47(70)60-43)22-29-8-12-31(62)13-9-29/h8-15,27-28,33-38,43,62H,5-7,16-26H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,67)(H,55,66)(H,56,72)(H,57,68)(H,58,71)(H,59,69)(H,60,70)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataEC50:  2.22E+3nMAssay Description:Agonist activity at human vasopressin V1b receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by F...More data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataEC50:  9.26E+3nMAssay Description:Agonist activity at human vasopressin V1b receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by F...More data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50205990(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
Affinity DataEC50:  29nMAssay Description:Agonist activity at human kidney vasopressin V2 receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271608(CHEMBL4129142)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[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](CC(C)C)C(=O)NCC(N)=O)c2
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(15-16-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-18-7-10-39(62)49(72)59-35(20-28(2)3)45(68)55-24-42(54)66)27-76-26-32-9-6-8-31(21-32)25-75-19-17-43(67)56-36(48(71)61-44)22-30-11-13-33(63)14-12-30/h6,8-9,11-14,21,28-29,34-39,44,63H,5,7,10,15-20,22-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataEC50:  3.90E+3nMAssay Description:Agonist activity at human kidney vasopressin V2 receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271609(CHEMBL4128839)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[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](CC(C)C)C(=O)NCC(N)=O)cc2
Show InChI InChI=1S/C50H71N11O12S2/c1-5-28(4)43-49(72)56-33(16-17-39(51)63)45(68)57-36(23-40(52)64)46(69)59-37(50(73)61-19-6-7-38(61)48(71)58-34(21-27(2)3)44(67)54-24-41(53)65)26-75-32-14-10-30(11-15-32)25-74-20-18-42(66)55-35(47(70)60-43)22-29-8-12-31(62)13-9-29/h8-15,27-28,33-38,43,62H,5-7,16-26H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,67)(H,55,66)(H,56,72)(H,57,68)(H,58,71)(H,59,69)(H,60,70)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataEC50:  3.67E+3nMAssay Description:Agonist activity at human kidney vasopressin V2 receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271606(CHEMBL4127791)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(16-17-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-19-8-11-39(62)49(72)59-35(21-28(2)3)45(68)55-24-42(54)66)27-76-26-32-10-7-6-9-31(32)25-75-20-18-43(67)56-36(48(71)61-44)22-30-12-14-33(63)15-13-30/h6-7,9-10,12-15,28-29,34-39,44,63H,5,8,11,16-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataEC50:  1.08E+4nMAssay Description:Agonist activity at human kidney vasopressin V2 receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataEC50:  1.89E+4nMAssay Description:Agonist activity at human kidney vasopressin V2 receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetVasopressin V1b receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271606(CHEMBL4127791)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(16-17-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-19-8-11-39(62)49(72)59-35(21-28(2)3)45(68)55-24-42(54)66)27-76-26-32-10-7-6-9-31(32)25-75-20-18-43(67)56-36(48(71)61-44)22-30-12-14-33(63)15-13-30/h6-7,9-10,12-15,28-29,34-39,44,63H,5,8,11,16-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataEC50:  8.30E+3nMAssay Description:Agonist activity at human vasopressin V1b receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by F...More data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271609(CHEMBL4128839)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[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](CC(C)C)C(=O)NCC(N)=O)cc2
Show InChI InChI=1S/C50H71N11O12S2/c1-5-28(4)43-49(72)56-33(16-17-39(51)63)45(68)57-36(23-40(52)64)46(69)59-37(50(73)61-19-6-7-38(61)48(71)58-34(21-27(2)3)44(67)54-24-41(53)65)26-75-32-14-10-30(11-15-32)25-74-20-18-42(66)55-35(47(70)60-43)22-29-8-12-31(62)13-9-29/h8-15,27-28,33-38,43,62H,5-7,16-26H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,67)(H,55,66)(H,56,72)(H,57,68)(H,58,71)(H,59,69)(H,60,70)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataEC50:  109nMAssay Description:Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mi...More data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271607(CHEMBL4126100)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[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/C51H74N14O12S2/c1-3-28(2)43-49(76)61-34(16-17-39(52)67)45(72)62-36(23-40(53)68)46(73)63-37(50(77)65-20-7-11-38(65)48(75)60-33(10-6-19-57-51(55)56)44(71)58-24-41(54)69)27-79-26-31-9-5-4-8-30(31)25-78-21-18-42(70)59-35(47(74)64-43)22-29-12-14-32(66)15-13-29/h4-5,8-9,12-15,28,33-38,43,66H,3,6-7,10-11,16-27H2,1-2H3,(H2,52,67)(H2,53,68)(H2,54,69)(H,58,71)(H,59,70)(H,60,75)(H,61,76)(H,62,72)(H,63,73)(H,64,74)(H4,55,56,57)/t28-,33-,34-,35-,36-,37-,38-,43-/m0/s1
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at human liver vasopressin V1a receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 min...More data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50205990(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[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](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
Affinity DataEC50:  0.300nMAssay Description:Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mi...More data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50271608(CHEMBL4129142)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[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](CC(C)C)C(=O)NCC(N)=O)c2
Show InChI InChI=1S/C51H73N11O12S2/c1-5-29(4)44-50(73)57-34(15-16-40(52)64)46(69)58-37(23-41(53)65)47(70)60-38(51(74)62-18-7-10-39(62)49(72)59-35(20-28(2)3)45(68)55-24-42(54)66)27-76-26-32-9-6-8-31(21-32)25-75-19-17-43(67)56-36(48(71)61-44)22-30-11-13-33(63)14-12-30/h6,8-9,11-14,21,28-29,34-39,44,63H,5,7,10,15-20,22-27H2,1-4H3,(H2,52,64)(H2,53,65)(H2,54,66)(H,55,68)(H,56,67)(H,57,73)(H,58,69)(H,59,72)(H,60,70)(H,61,71)/t29-,34-,35-,36-,37-,38-,39-,44-/m0/s1
Affinity DataEC50:  34nMAssay Description:Agonist activity at human mammary gland oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mi...More data for this Ligand-Target Pair