Show SMILESCc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChIInChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
Show SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChIInChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
Show SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChIInChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
Affinity DataKi: 0.430nMAssay Description:Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%More data for this Ligand-Target Pair
Show SMILESCCOc1ccc(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)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1
Show InChIInChI=1S/C52H79N15O10S2/c1-4-77-33-19-17-32(18-20-33)26-36-45(72)64-37(25-31-13-7-5-8-14-31)47(74)67-42(30(2)3)49(76)65-38(27-40(53)68)46(73)66-39(29-78-79-52(28-41(69)61-36)21-9-6-10-22-52)48(75)63-35(16-12-24-60-51(57)58)44(71)62-34(43(54)70)15-11-23-59-50(55)56/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,53,68)(H2,54,70)(H,61,69)(H,62,71)(H,63,75)(H,64,72)(H,65,76)(H,66,73)(H,67,74)(H4,55,56,59)(H4,57,58,60)/t34-,35-,36-,37+,38+,39+,42-/m0/s1
Affinity DataKi: 0.5nMAssay Description:Binding affinity of compound towards Vasopressin receptor by binding [3H]-LVP to dog renal medullary preparation.More data for this Ligand-Target Pair
Show SMILESO=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Show InChIInChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)
Affinity DataKi: 0.570nMAssay Description:Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assayMore data for this Ligand-Target Pair
Show SMILESO=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Show InChIInChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)
Affinity DataKi: 0.570nMAssay Description:Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Show SMILESO=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Show InChIInChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)
Affinity DataKi: 0.570nMAssay Description:Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 minsMore data for this Ligand-Target Pair
Show SMILESCN(C)CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChIInChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40)
Affinity DataKi: 0.670nMAssay Description:Displacement of [3H]-vasopressin from vasopressin V2 receptor in human kidney tissueMore data for this Ligand-Target Pair
Show SMILESCCOc1ccc(C[C@@H]2NC(=O)CC3(CC[C@H](C)CC3)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 InChIInChI=1S/C53H81N15O10S2/c1-5-78-34-17-15-33(16-18-34)26-37-46(73)65-38(25-32-11-7-6-8-12-32)48(75)68-43(30(2)3)50(77)66-39(27-41(54)69)47(74)67-40(29-79-80-53(28-42(70)62-37)21-19-31(4)20-22-53)49(76)64-36(14-10-24-61-52(58)59)45(72)63-35(44(55)71)13-9-23-60-51(56)57/h6-8,11-12,15-18,30-31,35-40,43H,5,9-10,13-14,19-29H2,1-4H3,(H2,54,69)(H2,55,71)(H,62,70)(H,63,72)(H,64,76)(H,65,73)(H,66,77)(H,67,74)(H,68,75)(H4,56,57,60)(H4,58,59,61)/t31?,35-,36-,37-,38-,39-,40+,43-,53?/m0/s1
Affinity DataKi: 0.700nMAssay Description:Binding affinity of compound towards Vasopressin receptor by binding [3H]-LVP to dog renal medullary preparation.More data for this Ligand-Target Pair
Show SMILESN[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 InChIInChI=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
Show SMILESCCN1\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 InChIInChI=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)
Affinity DataKi: 0.830nMAssay Description:Displacement of [3H]-AVP from SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells by FRET assayMore data for this Ligand-Target Pair
Show SMILESClc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2COCCN2Cc2ccccc12
Show InChIInChI=1S/C32H28ClN3O3/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m0/s1
Affinity DataKi: 0.900nMAssay Description:Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)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(N)=O)cc1
Show InChIInChI=1S/C52H76N12O10S2/c1-5-74-34-17-15-33(16-18-34)26-36-45(68)60-37(25-32-11-7-6-8-12-32)47(70)63-43(30(2)3)49(72)61-38(27-41(53)65)46(69)62-39(29-75-76-52(28-42(66)58-36)21-19-31(4)20-22-52)50(73)64-24-10-14-40(64)48(71)59-35(44(54)67)13-9-23-57-51(55)56/h6-8,11-12,15-18,30-31,35-40,43H,5,9-10,13-14,19-29H2,1-4H3,(H2,53,65)(H2,54,67)(H,58,66)(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,70)(H4,55,56,57)/t31?,35-,36-,37+,38+,39+,40-,43-,52?/m0/s1
Affinity DataKi: 0.990nMAssay Description:Binding affinity of compound towards Vasopressin receptor by binding [3H]-LVP to dog renal medullary preparation.More data for this Ligand-Target Pair
Show SMILESCCOc1ccc(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 InChIInChI=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
Affinity DataKi: 1nMAssay Description:Binding affinity of compound towards Vasopressin receptor by binding [3H]-LVP to dog renal medullary preparation.More data for this Ligand-Target Pair
Show SMILESCCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)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](CCCN=C(N)N)C(=O)NCC(N)=O)cc1
Show InChIInChI=1S/C54H79N13O11S2/c1-5-78-35-17-15-34(16-18-35)26-37-47(72)63-38(25-33-11-7-6-8-12-33)49(74)66-45(31(2)3)51(76)64-39(27-42(55)68)48(73)65-40(30-79-80-54(28-44(70)61-37)21-19-32(4)20-22-54)52(77)67-24-10-14-41(67)50(75)62-36(13-9-23-59-53(57)58)46(71)60-29-43(56)69/h6-8,11-12,15-18,31-32,36-41,45H,5,9-10,13-14,19-30H2,1-4H3,(H2,55,68)(H2,56,69)(H,60,71)(H,61,70)(H,62,75)(H,63,72)(H,64,76)(H,65,73)(H,66,74)(H4,57,58,59)/t32?,36-,37-,38+,39+,40+,41-,45-,54?/m0/s1
Affinity DataKi: 1nMAssay Description:Binding affinity of compound towards Vasopressin receptor by binding [3H]-LVP to dog renal medullary preparation.More data for this Ligand-Target Pair
Show SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChIInChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
Affinity DataKi: 1nMAssay Description:Displacement of [3H]-arginine-vasopressin from human V2 receptor expressed in human 1321N1 cell membranes incubated for 60 mins by radioligand bindin...More data for this Ligand-Target Pair
Show SMILESCCOc1ccc(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(N)=O)cc1
Show InChIInChI=1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35-,36+,37+,38+,39-,42-/m0/s1
Affinity DataKi: 1.10nMAssay Description:Binding affinity of compound towards Vasopressin receptor by binding [3H]-LVP to dog renal medullary preparation.More data for this Ligand-Target Pair
Show SMILESCN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChIInChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
Affinity DataKi: 1.19nMAssay Description:Binding affinity at cloned human Vasopressin V2 receptor stably expressed in CHO cells, using [3H]-AVP as radioligandMore data for this Ligand-Target Pair
Show SMILESCC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChIInChI=1S/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30-,31+,32+,33+,34+,38-/m0/s1
Affinity DataKi: 1.20nMAssay Description:Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...More data for this Ligand-Target Pair
Show SMILESN[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 InChIInChI=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: 1.36nMAssay Description:Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins by saturation binding assayMore data for this Ligand-Target Pair
Show SMILESOc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChIInChI=1S/C32H28ClN3O4/c33-29-16-23(34-31(38)26-13-11-25(37)17-28(26)21-6-2-1-3-7-21)10-12-27(29)32(39)36-19-24-20-40-15-14-35(24)18-22-8-4-5-9-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
Affinity DataKi: 1.40nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESN[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 InChIInChI=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: 1.48nMAssay Description:Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 minsMore data for this Ligand-Target Pair
Show SMILESCCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[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)N[C@H](CCCNC(N)=N)C(N)=O)cc1
Show InChIInChI=1S/C47H69N11O9S2/c1-4-67-31-17-15-30(16-18-31)23-33-41(62)55-34(22-29-12-7-5-8-13-29)43(64)58-39(28(2)3)45(66)56-35(24-37(48)59)42(63)57-36(44(65)54-32(40(49)61)14-11-21-52-46(50)51)26-68-27-69-47(25-38(60)53-33)19-9-6-10-20-47/h5,7-8,12-13,15-18,28,32-36,39H,4,6,9-11,14,19-27H2,1-3H3,(H2,48,59)(H2,49,61)(H,53,60)(H,54,65)(H,55,62)(H,56,66)(H,57,63)(H,58,64)(H4,50,51,52)/t32-,33-,34-,35-,36-,39+/m1/s1
Affinity DataKi: 1.5nMAssay Description:Inhibition constant for vasopressin-stimulated adenylate cyclase (Vasopressin V2 receptor) of medullary membranes of human kidneyMore data for this Ligand-Target Pair
Show SMILESCC(O)C1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChIInChI=1S/C45H63N13O12S2/c1-24(59)37-43(69)55-31(21-34(46)61)40(66)56-32(44(70)58-17-6-10-33(58)42(68)53-28(9-5-16-50-45(48)49)38(64)51-22-35(47)62)23-72-71-18-15-36(63)52-29(20-26-11-13-27(60)14-12-26)39(65)54-30(41(67)57-37)19-25-7-3-2-4-8-25/h2-4,7-8,11-14,24,28-33,37,59-60H,5-6,9-10,15-23H2,1H3,(H2,46,61)(H2,47,62)(H,51,64)(H,52,63)(H,53,68)(H,54,65)(H,55,69)(H,56,66)(H,57,67)(H4,48,49,50)/t24?,28-,29-,30+,31+,32+,33+,37?/m0/s1
Affinity DataKi: 1.5nMAssay Description:Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...More data for this Ligand-Target Pair
Show SMILESFc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChIInChI=1S/C32H27ClFN3O3/c33-29-17-24(35-31(38)26-12-10-23(34)16-28(26)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)/t25-/m0/s1
Affinity DataKi: 1.90nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCCN1\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 InChIInChI=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)
Affinity DataKi: 1.93nMAssay Description:Displacement of [3H]-AVP from SNAP-tagged vasopressin V2 receptor expressed in HEK293 cells by FRET assayMore data for this Ligand-Target Pair
Show SMILESCOc1cccc(c1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChIInChI=1S/C33H30ClN3O4/c1-40-26-9-6-8-22(17-26)27-10-3-4-11-28(27)32(38)35-24-13-14-29(30(34)18-24)33(39)37-20-25-21-41-16-15-36(25)19-23-7-2-5-12-31(23)37/h2-14,17-18,25H,15-16,19-21H2,1H3,(H,35,38)/t25-/m0/s1
Affinity DataKi: 2nMAssay Description:Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESFc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChIInChI=1S/C32H27ClFN3O3/c33-29-17-24(35-31(38)26-12-10-23(34)16-28(26)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)/t25-/m0/s1
Affinity DataKi: 2nMAssay Description:Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChIInChI=1S/C45H63N13O11S2/c1-2-28-39(64)56-32(22-35(46)60)42(67)57-33(44(69)58-18-7-11-34(58)43(68)54-29(10-6-17-50-45(48)49)38(63)51-23-36(47)61)24-71-70-19-16-37(62)52-30(21-26-12-14-27(59)15-13-26)40(65)55-31(41(66)53-28)20-25-8-4-3-5-9-25/h3-5,8-9,12-15,28-34,59H,2,6-7,10-11,16-24H2,1H3,(H2,46,60)(H2,47,61)(H,51,63)(H,52,62)(H,53,66)(H,54,68)(H,55,65)(H,56,64)(H,57,67)(H4,48,49,50)/t28?,29-,30-,31+,32+,33+,34+/m0/s1
Affinity DataKi: 2.10nMAssay Description:Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...More data for this Ligand-Target Pair
Show SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChIInChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
Affinity DataKi: 2.30nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChIInChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)
Affinity DataKi: 2.68nMAssay Description:Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 minsMore data for this Ligand-Target Pair
Show SMILESCOc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChIInChI=1S/C33H30ClN3O4/c1-40-26-13-10-22(11-14-26)27-7-3-4-8-28(27)32(38)35-24-12-15-29(30(34)18-24)33(39)37-20-25-21-41-17-16-36(25)19-23-6-2-5-9-31(23)37/h2-15,18,25H,16-17,19-21H2,1H3,(H,35,38)/t25-/m0/s1
Affinity DataKi: 2.80nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptorMore data for this Ligand-Target Pair
Show SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChIInChI=1S/C27H25ClFN3O3/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)/t21-/m0/s1
Affinity DataKi: 2.80nMAssay Description:Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCOc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChIInChI=1S/C33H30ClN3O4/c1-40-26-13-10-22(11-14-26)27-7-3-4-8-28(27)32(38)35-24-12-15-29(30(34)18-24)33(39)37-20-25-21-41-17-16-36(25)19-23-6-2-5-9-31(23)37/h2-15,18,25H,16-17,19-21H2,1H3,(H,35,38)/t25-/m0/s1
Affinity DataKi: 3nMAssay Description:Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESO=C(Nc1ccc(cc1)C(=O)N1C[C@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChIInChI=1S/C32H29N3O2S/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
Affinity DataKi: 3.20nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESOc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Show InChIInChI=1S/C32H29N3O3S/c36-30-18-24(33-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(30)32(38)35-20-25-21-39-17-16-34(25)19-23-10-4-7-13-29(23)35/h1-15,18,25,36H,16-17,19-21H2,(H,33,37)
Affinity DataKi: 3.20nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCCOc1ccc(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)N[C@H](CCCCN)C(N)=O)cc1
Show InChIInChI=1S/C46H67N9O9S2/c1-4-64-31-18-16-30(17-19-31)24-33-41(59)52-34(23-29-13-7-5-8-14-29)43(61)55-39(28(2)3)45(63)53-35(25-37(48)56)42(60)54-36(44(62)51-32(40(49)58)15-9-12-22-47)27-65-66-46(26-38(57)50-33)20-10-6-11-21-46/h5,7-8,13-14,16-19,28,32-36,39H,4,6,9-12,15,20-27,47H2,1-3H3,(H2,48,56)(H2,49,58)(H,50,57)(H,51,62)(H,52,59)(H,53,63)(H,54,60)(H,55,61)/t32-,33-,34-,35-,36-,39+/m1/s1
Affinity DataKi: 3.30nMAssay Description:Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of human kidneyMore data for this Ligand-Target Pair
Show SMILESCc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnn3)c3ccccc23)c(Cl)c1
Show InChIInChI=1S/C28H23ClF2N6O2/c1-18-10-13-37(35-18)20-8-9-22(24(29)15-20)27(39)36-14-11-28(30,31)23(21-6-2-3-7-25(21)36)16-26(38)32-17-19-5-4-12-33-34-19/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,32,38)/b23-16-
Affinity DataKi: 3.40nM ΔG°: -11.5kcal/molepH: 7.4 T: 2°CAssay Description:The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...More data for this Ligand-Target Pair
Show SMILESCCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[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](CCCN=C(N)N)C(N)=O)cc1
Show InChIInChI=1S/C52H76N12O10S2/c1-4-74-34-19-17-33(18-20-34)26-36-45(68)60-37(25-32-13-7-5-8-14-32)47(70)63-43(31(2)3)49(72)61-38(27-41(53)65)46(69)62-39(29-75-30-76-52(28-42(66)58-36)21-9-6-10-22-52)50(73)64-24-12-16-40(64)48(71)59-35(44(54)67)15-11-23-57-51(55)56/h5,7-8,13-14,17-20,31,35-40,43H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,53,65)(H2,54,67)(H,58,66)(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,70)(H4,55,56,57)/t35-,36+,37+,38+,39+,40-,43-/m0/s1
Affinity DataKi: 3.60nMAssay Description:Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of human kidneyMore data for this Ligand-Target Pair
Show SMILESO=C(Nc1ccc(cc1)C(=O)N1C[C@H]2COCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChIInChI=1S/C32H29N3O3/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
Affinity DataKi: 3.70nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESClc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2CSCCN2Cc2ccccc12
Show InChIInChI=1S/C32H28ClN3O2S/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m0/s1
Affinity DataKi: 3.70nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[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)N2CCCC2C(=O)NCCCCNC(N)=N)cc1
Show InChIInChI=1S/C51H75N11O9S2/c1-4-71-35-19-17-34(18-20-35)27-36-44(65)58-37(26-33-14-7-5-8-15-33)46(67)61-43(32(2)3)48(69)59-38(28-41(52)63)45(66)60-39(30-72-31-73-51(29-42(64)57-36)21-9-6-10-22-51)49(70)62-25-13-16-40(62)47(68)55-23-11-12-24-56-50(53)54/h5,7-8,14-15,17-20,32,36-40,43H,4,6,9-13,16,21-31H2,1-3H3,(H2,52,63)(H,55,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,56)/t36-,37-,38-,39-,40?,43+/m1/s1
Affinity DataKi: 3.70nMAssay Description:Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of human kidneyMore data for this Ligand-Target Pair
Show SMILESCOc1cccc(c1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChIInChI=1S/C33H30ClN3O4/c1-40-26-9-6-8-22(17-26)27-10-3-4-11-28(27)32(38)35-24-13-14-29(30(34)18-24)33(39)37-20-25-21-41-16-15-36(25)19-23-7-2-5-12-31(23)37/h2-14,17-18,25H,15-16,19-21H2,1H3,(H,35,38)/t25-/m0/s1
Affinity DataKi: 3.70nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESFc1ccc(C(=O)Nc2ccc(C(=O)N3CC4CSCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChIInChI=1S/C32H27ClFN3O2S/c33-29-17-24(35-31(38)26-12-10-23(34)16-28(26)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)
Affinity DataKi: 3.70nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC
Show InChIInChI=1S/C72H80N10O13S2/c1-5-79(6-2)54-28-31-60-65(45-54)95-66-46-55(80(7-3)8-4)29-32-61(66)70(60)62-33-30-56(47-67(62)97(89,90)91)96(87,88)74-36-39-92-41-43-94-44-42-93-40-38-81-49-53(77-78-81)48-73-68(83)34-35-69(84)76-63-22-16-37-82(64-23-15-14-21-59(63)64)72(86)51-24-26-52(27-25-51)75-71(85)58-20-13-12-19-57(58)50-17-10-9-11-18-50/h9-15,17-21,23-33,45-47,49,63,74H,5-8,16,22,34-44,48H2,1-4H3,(H3-,73,75,76,83,84,85,86,89,90,91)
Affinity DataKi: 4nMAssay Description:Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 minsMore data for this Ligand-Target Pair
Show SMILESClc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2COCCN2Cc2ccccc12
Show InChIInChI=1S/C32H28ClN3O3/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m0/s1
Affinity DataKi: 4nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESOc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChIInChI=1S/C32H28ClN3O4/c33-29-17-23(34-31(38)27-7-3-2-6-26(27)21-9-12-25(37)13-10-21)11-14-28(29)32(39)36-19-24-20-40-16-15-35(24)18-22-5-1-4-8-30(22)36/h1-14,17,24,37H,15-16,18-20H2,(H,34,38)/t24-/m0/s1
Affinity DataKi: 4.20nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[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](CCCN=C(N)N)C(=O)NCC(N)=O)cc1
Show InChIInChI=1S/C54H79N13O11S2/c1-4-78-35-19-17-34(18-20-35)26-37-47(72)63-38(25-33-13-7-5-8-14-33)49(74)66-45(32(2)3)51(76)64-39(27-42(55)68)48(73)65-40(30-79-31-80-54(28-44(70)61-37)21-9-6-10-22-54)52(77)67-24-12-16-41(67)50(75)62-36(15-11-23-59-53(57)58)46(71)60-29-43(56)69/h5,7-8,13-14,17-20,32,36-41,45H,4,6,9-12,15-16,21-31H2,1-3H3,(H2,55,68)(H2,56,69)(H,60,71)(H,61,70)(H,62,75)(H,63,72)(H,64,76)(H,65,73)(H,66,74)(H4,57,58,59)/t36-,37+,38+,39+,40+,41-,45-/m0/s1
Affinity DataKi: 4.20nMAssay Description:Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of human kidneyMore data for this Ligand-Target Pair
Show SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChIInChI=1S/C33H30ClN3O4/c1-40-26-12-14-27(29(18-26)22-7-3-2-4-8-22)32(38)35-24-11-13-28(30(34)17-24)33(39)37-20-25-21-41-16-15-36(25)19-23-9-5-6-10-31(23)37/h2-14,17-18,25H,15-16,19-21H2,1H3,(H,35,38)/t25-/m0/s1
Affinity DataKi: 4.20nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
Show SMILESCCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[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)NCCN)cc1
Show InChIInChI=1S/C48H69N9O9S2/c1-4-66-33-17-15-32(16-18-33)25-34-42(60)53-35(24-31-12-7-5-8-13-31)44(62)56-41(30(2)3)46(64)54-36(26-39(50)58)43(61)55-37(47(65)57-23-11-14-38(57)45(63)51-22-21-49)28-67-29-68-48(27-40(59)52-34)19-9-6-10-20-48/h5,7-8,12-13,15-18,30,34-38,41H,4,6,9-11,14,19-29,49H2,1-3H3,(H2,50,58)(H,51,63)(H,52,59)(H,53,60)(H,54,64)(H,55,61)(H,56,62)/t34-,35-,36-,37-,38+,41+/m1/s1
Affinity DataKi: 4.80nMAssay Description:Inhibition constant for vasopressin-stimulated adenylate cyclase of medullary membranes of human kidneyMore data for this Ligand-Target Pair
