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Compile Data Set for Download or QSAR

Found 32 hits of kd data for polymerid = 326,4332   
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


(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 |c:9|
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


(Rattus norvegicus (Rat))		BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=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)


BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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 |c:9|
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 V2 receptor


(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 |c:9|
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


(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)


BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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 |(30.96,-29.16,;30.97,-27.63,;29.62,-28.36,;31.01,-26.09,;29.7,-25.29,;29.75,-23.75,;28.43,-22.94,;28.48,-21.4,;29.83,-20.67,;27.16,-20.6,;27.2,-19.06,;25.89,-18.25,;25.93,-16.71,;24.62,-15.91,;24.66,-14.37,;23.34,-13.56,;23.38,-12.02,;22.07,-11.22,;22.11,-9.68,;20.8,-8.87,;19.48,-9.65,;19.48,-11.19,;18.26,-12.12,;18.78,-13.58,;17.91,-14.85,;16.37,-14.85,;15.6,-16.19,;16.38,-17.52,;14.06,-16.19,;13.3,-17.54,;11.74,-17.54,;10.97,-16.2,;10.98,-18.88,;11.73,-20.18,;13.29,-20.17,;14.27,-21.36,;13.94,-22.87,;12.54,-23.56,;12.52,-25.13,;11.18,-25.89,;13.86,-25.9,;15.21,-25.14,;16.53,-25.91,;16.52,-27.45,;17.84,-28.22,;19.18,-27.45,;19.18,-25.91,;20.51,-28.23,;20.5,-29.78,;21.83,-30.55,;23.18,-29.78,;23.18,-28.24,;21.83,-27.46,;21.84,-25.92,;23.18,-25.16,;23.18,-23.63,;21.85,-22.85,;20.5,-23.63,;20.5,-25.16,;15.18,-28.22,;13.85,-27.45,;11.14,-22.9,;10.03,-23.98,;8.54,-23.56,;8.15,-22.04,;9.28,-20.96,;10.77,-21.39,;20.31,-13.54,;20.75,-12.06,;31.09,-23.01,;32.41,-23.81,;32.37,-25.36,;33.68,-26.15,;34.98,-25.34,;34.93,-23.82,;36.22,-23,;37.58,-23.72,;38.89,-22.91,;37.63,-25.26,;36.33,-26.06,;36.4,-27.61,;35.08,-28.42,;35.13,-29.95,;33.83,-30.76,;33.88,-32.3,;32.47,-30.03,;32.43,-28.5,;33.73,-27.69,)|
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


(Rattus norvegicus (Rat))		BDBM50407333
PNG
(CHEMBL412942)
Show SMILES CCN1[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(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
Antidiuretic activity at V2 receptor

J Med Chem 38: 1762-9 (1995)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50407332
PNG
(CHEMBL405005)
Show SMILES CCN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38-,39-,40-,44-/m0/s1
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n/an/an/a 26.9n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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 |c:9|
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


(Rattus norvegicus (Rat))		BDBM50407349
PNG
(CHEMBL265357)
Show SMILES CCN1[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38+,39-,40+,44-/m0/s1
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n/an/an/a 46.8n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50407338
PNG
(CHEMBL385062)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C51H73N13O10S2/c1-30(2)42-48(73)61-36(26-39(52)65)45(70)62-37(49(74)64-23-13-19-38(64)47(72)59-33(18-12-22-56-50(54)55)43(68)57-28-40(53)66)29-75-76-51(20-10-5-11-21-51)27-41(67)58-34(24-31-14-6-3-7-15-31)44(69)60-35(46(71)63-42)25-32-16-8-4-9-17-32/h3-4,6-9,14-17,30,33-38,42H,5,10-13,18-29H2,1-2H3,(H2,52,65)(H2,53,66)(H,57,68)(H,58,67)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,71)(H4,54,55,56)/t33-,34+,35+,36+,37+,38-,42-/m0/s1
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n/an/an/a 56.2n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(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 |(2.68,2.06,;2.67,3.09,;3.74,3.7,;1.34,3.85,;1.34,5.39,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-0,7.7,;1.06,8.32,;-1.34,8.47,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-4.02,13.09,;-4.02,14.63,;-5.36,15.39,;-6.42,14.78,;-5.36,16.93,;-6.7,17.7,;-6.7,19.24,;-8.04,20.01,;-8.04,21.55,;-6.98,22.17,;-9.38,22.32,;-9.38,23.86,;-10.72,24.63,;-10.73,26.17,;-12.06,26.93,;-13.39,26.16,;-13.39,24.62,;-12.05,23.85,;-14.73,26.92,;-14.74,28.15,;-15.8,27.53,;-16.06,26.15,;-17.4,26.91,;-18.73,26.14,;-18.73,24.9,;-20.07,26.9,;-21.4,26.12,;-22.74,26.89,;-22.89,28.41,;-21.97,29.23,;-24.37,28.72,;-25.14,27.4,;-26.66,27.09,;-27.14,25.61,;-26.11,24.47,;-24.58,24.78,;-24.12,26.25,;-16.06,24.6,;-14.72,23.84,;-14.72,22.3,;-16.05,21.52,;-16.05,20.29,;-17.39,22.29,;-17.39,23.83,)|
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


(Homo sapiens (Human))		BDBM50077137
PNG
(CHEMBL3416754)
Show SMILES [O-]C(=O)C(F)(F)F.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 |c:15|
Show InChI InChI=1S/C66H86ClFN8O17S2/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/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)/p+1
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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))		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)


BindingDB Entry DOI: 10.7270/Q2QC040K
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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50077138
PNG
(CHEMBL3416753)
Show SMILES [O-]C(=O)C(F)(F)F.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 |c:15|
Show InChI InChI=1S/C58H70ClFN8O13S2/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/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)/p+1
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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


(Homo sapiens (Human))		BDBM50077139
PNG
(CHEMBL3416752)
Show SMILES [O-]C(=O)C(F)(F)F.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 |(9.24,30.38,;9.24,29.14,;8.17,28.53,;10.57,28.37,;11.64,28.99,;11.64,27.76,;10.57,27.14,;-30.83,47.13,;-29.98,46.24,;-28.48,46.61,;-27.42,45.5,;-25.92,45.86,;-25.5,47.34,;-26.56,48.45,;-28.05,48.09,;-24.03,47.82,;-22.79,46.94,;-22.78,45.4,;-21.45,44.63,;-21.44,43.09,;-20.11,42.32,;-20.1,40.78,;-18.77,40.02,;-18.76,38.48,;-17.43,37.71,;-17.42,36.17,;-16.09,35.4,;-16.08,33.86,;-14.75,33.09,;-14.74,31.55,;-13.41,30.78,;-13.4,29.24,;-12.06,28.48,;-12.06,26.93,;-10.72,26.17,;-10.72,24.63,;-9.38,23.86,;-9.38,22.32,;-8.04,21.55,;-8.04,20.01,;-6.7,19.24,;-6.7,17.7,;-5.36,16.93,;-5.36,15.39,;-6.42,14.77,;-4.02,14.63,;-4.02,13.09,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-0,7.7,;1.06,8.32,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-21.54,47.83,;-22.02,49.29,;-23.56,49.29,;-24.47,50.53,;-25.93,50.85,;-25.57,52.35,;-24.07,51.98,;-26.36,53.66,;-25.62,55.01,;-24.08,55.04,;-23.33,56.39,;-24.13,57.71,;-23.54,58.79,;-25.67,57.68,;-26.41,56.33,;-27.65,56.31,)|
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


(Homo sapiens (Human))		BDBM50077134
PNG
(CHEMBL3416751)
Show SMILES [O-]C(=O)C(F)(F)F.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 |(1.33,2,;1.33,.77,;.27,.15,;2.67,,;3.74,.62,;3.74,-.62,;2.67,-1.23,;6.78,11.83,;7.64,10.94,;9.13,11.31,;10.2,10.2,;11.69,10.57,;12.12,12.04,;11.06,13.16,;9.56,12.79,;13.58,12.53,;14.83,11.64,;14.83,10.1,;16.17,9.34,;16.17,7.79,;17.51,7.03,;17.51,5.49,;18.85,4.72,;18.86,3.18,;20.19,2.41,;20.2,.87,;21.53,.1,;21.54,-1.44,;22.87,-2.21,;22.88,-3.75,;24.21,-4.51,;24.22,-6.06,;23.15,-6.67,;25.55,-6.82,;25.56,-8.36,;26.89,-9.13,;26.9,-10.67,;28.23,-11.44,;28.24,-12.98,;29.57,-13.75,;30.64,-13.13,;29.58,-15.29,;28.25,-16.06,;28.25,-17.6,;29.58,-18.37,;30.91,-17.6,;30.91,-16.06,;32.25,-18.36,;32.25,-19.39,;33.32,-17.75,;29.58,-19.91,;28.24,-20.68,;26.91,-19.91,;25.58,-20.68,;25.58,-22.22,;24.51,-22.84,;26.91,-22.99,;28.24,-22.22,;29.58,-22.99,;30.89,-22.22,;32.24,-22.99,;33.58,-22.22,;34.64,-22.84,;33.58,-20.68,;32.24,-19.91,;30.89,-20.68,;16.08,12.53,;15.6,13.99,;14.06,13.99,;13.15,15.24,;11.69,15.55,;12.05,17.05,;13.55,16.69,;11.26,18.36,;12,19.71,;13.54,19.74,;14.28,21.09,;13.49,22.41,;14.08,23.49,;11.95,22.38,;11.2,21.03,;9.97,21.01,)|
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


(Rattus norvegicus (Rat))		BDBM50407341
PNG
(CHEMBL264449)
Show SMILES CCN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C53H77N13O11S2/c1-4-65-40(26-33-17-19-34(67)20-18-33)49(75)61-36(25-32-13-7-5-8-14-32)47(73)64-44(31(2)3)50(76)62-37(27-41(54)68)46(72)63-38(30-78-79-53(28-43(65)70)21-9-6-10-22-53)51(77)66-24-12-16-39(66)48(74)60-35(15-11-23-58-52(56)57)45(71)59-29-42(55)69/h5,7-8,13-14,17-20,31,35-40,44,67H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,68)(H2,55,69)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H4,56,57,58)/t35-,36+,37+,38+,39-,40-,44-/m0/s1
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n/an/an/a 1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50407335
PNG
(CHEMBL428187)
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>1.26E+3n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50407344
PNG
(CHEMBL261914)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=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](CCCN)C(=O)NCC(N)=O
Show InChI InChI=1S/C48H74N12O12S2/c1-4-27(2)40-46(71)55-31(16-17-36(50)62)42(67)56-32(23-37(51)63)43(68)57-33(47(72)60-21-9-11-34(60)44(69)54-30(10-8-20-49)41(66)53-25-38(52)64)26-73-74-48(18-6-5-7-19-48)24-39(65)59(3)35(45(70)58-40)22-28-12-14-29(61)15-13-28/h12-15,27,30-35,40,61H,4-11,16-26,49H2,1-3H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,69)(H,55,71)(H,56,67)(H,57,68)(H,58,70)/t27-,30-,31-,32+,33+,34-,35-,40+/m0/s1
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n/an/an/a 1.26E+3n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
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)


BindingDB Entry DOI: 10.7270/Q2QC040K
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>2.51E+3n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50407336
PNG
(CHEMBL412616)
Show SMILES CN1[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)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
Show InChI InChI=1S/C52H74N14O12S2/c1-65-39(25-31-14-16-32(67)17-15-31)49(77)63-35(24-30-10-4-2-5-11-30)46(74)60-34(18-19-40(53)68)45(73)62-36(26-41(54)69)47(75)64-37(29-79-80-52(27-43(65)71)20-6-3-7-21-52)50(78)66-23-9-13-38(66)48(76)61-33(12-8-22-58-51(56)57)44(72)59-28-42(55)70/h2,4-5,10-11,14-17,33-39,67H,3,6-9,12-13,18-29H2,1H3,(H2,53,68)(H2,54,69)(H2,55,70)(H,59,72)(H,60,74)(H,61,76)(H,62,73)(H,63,77)(H,64,75)(H4,56,57,58)/t33-,34-,35+,36+,37+,38-,39-/m0/s1
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n/an/an/a 2.88E+3n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50407339
PNG
(CHEMBL1790307)
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](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O
Show InChI InChI=1S/C46H68N10O11S2/c1-4-25(2)37-42(63)55-38(26(3)57)43(64)52-32(22-35(48)58)39(60)53-33(44(65)56-19-11-15-34(56)41(62)51-30(45(66)67)14-10-18-47)24-68-69-46(16-8-5-9-17-46)23-36(59)50-31(40(61)54-37)21-28-20-27-12-6-7-13-29(27)49-28/h6-7,12-13,20,25-26,30-34,37-38,49,57H,4-5,8-11,14-19,21-24,47H2,1-3H3,(H2,48,58)(H,50,59)(H,51,62)(H,52,64)(H,53,60)(H,54,61)(H,55,63)(H,66,67)/t25-,26+,30-,31-,32+,33+,34-,37+,38-/m0/s1
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n/an/an/a 3.16E+3n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50407337
PNG
(CHEMBL1790314)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O
Show InChI InChI=1S/C45H69N9O12S2/c1-5-25(2)36-41(62)52-37(26(3)55)42(63)49-30(22-34(47)57)38(59)50-31(43(64)54-20-10-12-32(54)39(60)48-29(44(65)66)11-9-19-46)24-67-68-45(17-7-6-8-18-45)23-35(58)53(4)33(40(61)51-36)21-27-13-15-28(56)16-14-27/h13-16,25-26,29-33,36-37,55-56H,5-12,17-24,46H2,1-4H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,61)(H,52,62)(H,65,66)/t25-,26+,29-,30+,31-,32-,33-,36+,37-/m0/s1
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n/an/an/a 3.16E+3n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50407340
PNG
(CHEMBL1790310)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C54H79N11O13S2/c1-5-30(2)44-51(76)63-45(31(3)66)52(77)60-38(27-42(56)69)48(73)61-39(29-79-80-54(21-7-6-8-22-54)28-43(70)64(4)41(50(75)62-44)26-33-15-19-35(68)20-16-33)53(78)65-24-10-12-40(65)49(74)58-36(11-9-23-55)47(72)59-37(46(57)71)25-32-13-17-34(67)18-14-32/h13-20,30-31,36-41,44-45,66-68H,5-12,21-29,55H2,1-4H3,(H2,56,69)(H2,57,71)(H,58,74)(H,59,72)(H,60,77)(H,61,73)(H,62,75)(H,63,76)/t30-,31+,36-,37-,38+,39+,40-,41-,44+,45-/m0/s1
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n/an/an/a 3.16E+3n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50407334
PNG
(CHEMBL1790313)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O
Show InChI InChI=1S/C45H69N9O12S2/c1-5-25(2)36-41(62)52-37(26(3)55)42(63)49-30(22-34(47)57)38(59)50-31(43(64)54-20-10-12-32(54)39(60)48-29(44(65)66)11-9-19-46)24-67-68-45(17-7-6-8-18-45)23-35(58)53(4)33(40(61)51-36)21-27-13-15-28(56)16-14-27/h13-16,25-26,29-33,36-37,55-56H,5-12,17-24,46H2,1-4H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,61)(H,52,62)(H,65,66)/t25-,26+,29-,30+,31+,32-,33-,36+,37-/m0/s1
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n/an/an/a 3.98E+3n/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)


BindingDB Entry DOI: 10.7270/Q24M95QZ
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)


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)


BindingDB Entry DOI: 10.7270/Q2QC040K
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 [H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)|
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)


BindingDB Entry DOI: 10.7270/Q2QC040K
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 [H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)|
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)


BindingDB Entry DOI: 10.7270/Q2QC040K
More data for this
Ligand-Target Pair