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Compile Data Set for Download or QSAR

Found 329 hits of ec50 data for polymerid = 326,4332,49001084,50002661   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM301678
PNG
(US10131692, Compound 10)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r|
Show InChI InChI=1S/C42H60ClN11O8S2/c1-24(2)35-40(61)51-30(22-33(44)55)37(58)52-31(41(62)54-17-5-9-32(54)39(60)47-15-3-4-16-48-42(45)46)23-63-18-7-10-34(56)49-28(20-25-11-13-26(43)14-12-25)36(57)50-29(38(59)53-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,44,55)(H,47,60)(H,49,56)(H,50,57)(H,51,61)(H,52,58)(H,53,59)(H4,45,46,48)/t28-,29-,30-,31-,32-,35-/m0/s1
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n/an/an/an/a 0.0200n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ge...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50205308
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#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/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ge...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50044777
PNG
(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
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay

J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50205304
PNG
(CHEMBL435323 | dVDAVP)
Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#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/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+/m1/s1
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM301689
PNG
(US10131692, Compound 21)
Show SMILES CCN(CC)C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
Show InChI InChI=1S/C47H67ClN12O9S2/c1-5-59(6-2)45(68)31(12-7-19-52-47(50)51)54-43(66)36-13-8-20-60(36)46(69)35-26-70-21-10-14-38(62)53-32(23-28-15-17-29(48)18-16-28)40(63)55-33(24-30-11-9-22-71-30)42(65)58-39(27(3)4)44(67)56-34(25-37(49)61)41(64)57-35/h9,11,15-18,22,27,31-36,39H,5-8,10,12-14,19-21,23-26H2,1-4H3,(H2,49,61)(H,54,66)(H,55,63)(H,56,67)(H,58,65)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ge...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301678
PNG
(US10131692, Compound 10)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r|
Show InChI InChI=1S/C42H60ClN11O8S2/c1-24(2)35-40(61)51-30(22-33(44)55)37(58)52-31(41(62)54-17-5-9-32(54)39(60)47-15-3-4-16-48-42(45)46)23-63-18-7-10-34(56)49-28(20-25-11-13-26(43)14-12-25)36(57)50-29(38(59)53-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,44,55)(H,47,60)(H,49,56)(H,50,57)(H,51,61)(H,52,58)(H,53,59)(H4,45,46,48)/t28-,29-,30-,31-,32-,35-/m0/s1
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301693
PNG
(US10131692, Compound 25)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r|
Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)53-32(22-34(45)57)38(60)51-29(42(64)55-16-4-8-33(55)40(62)49-27(23-56)6-3-15-48-43(46)47)13-18-65-19-14-35(58)50-30(20-25-9-11-26(44)12-10-25)37(59)52-31(39(61)54-36)21-28-7-5-17-66-28/h5,7,9-12,17,24,27,29-33,36,56H,3-4,6,8,13-16,18-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,60)(H,52,59)(H,53,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525073
PNG
(CHEMBL4454891)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r|
Show InChI InChI=1S/C43H63N11O10S2/c1-24(2)36-41(63)52-32(22-34(44)57)38(60)50-29(42(64)54-16-4-8-33(54)40(62)48-26(23-55)6-3-15-47-43(45)46)13-18-65-19-14-35(58)49-30(20-25-9-11-27(56)12-10-25)37(59)51-31(39(61)53-36)21-28-7-5-17-66-28/h5,7,9-12,17,24,26,29-33,36,55-56H,3-4,6,8,13-16,18-23H2,1-2H3,(H2,44,57)(H,48,62)(H,49,58)(H,50,60)(H,51,59)(H,52,63)(H,53,61)(H4,45,46,47)/t26-,29+,30+,31+,32+,33+,36+/m1/s1
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301676
PNG
(US10131692, Compound 8)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r|
Show InChI InChI=1S/C44H62FN11O9S/c1-25(2)37-42(64)53-32(23-35(46)58)39(61)54-33(43(65)56-19-5-7-34(56)41(63)49-17-3-4-18-50-44(47)48)24-66-20-6-8-36(59)51-30(21-27-11-15-29(57)16-12-27)38(60)52-31(40(62)55-37)22-26-9-13-28(45)14-10-26/h9-16,25,30-34,37,57H,3-8,17-24H2,1-2H3,(H2,46,58)(H,49,63)(H,51,59)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,47,48,50)/t30-,31-,32-,33-,34-,37-/m0/s1
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301669
PNG
(US10131692, Compound 1)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C43H60ClN11O9S2/c1-24(2)36-41(63)52-31(21-34(45)57)38(60)53-32(42(64)55-16-4-9-33(55)40(62)49-27(22-56)7-3-15-48-43(46)47)23-65-17-6-10-35(58)50-29(19-25-11-13-26(44)14-12-25)37(59)51-30(39(61)54-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,27,29-33,36,56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,45,57)(H,49,62)(H,51,59)(H,52,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301701
PNG
(US10131692, Compound 33)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C44H63ClN12O9S3/c1-4-49-37(60)28(9-5-15-50-44(47)48)52-41(64)33-22-68-23-57(33)43(66)32-21-67-16-7-10-35(59)51-29(18-25-11-13-26(45)14-12-25)38(61)53-30(19-27-8-6-17-69-27)40(63)56-36(24(2)3)42(65)54-31(20-34(46)58)39(62)55-32/h6,8,11-14,17,24,28-33,36H,4-5,7,9-10,15-16,18-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301699
PNG
(US10131692, Compound 31)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
Show InChI InChI=1S/C45H63ClN12O10S2/c1-4-50-38(62)29(8-5-15-51-45(48)49)53-42(66)34-20-27(59)23-58(34)44(68)30-13-17-69-18-14-36(61)52-31(19-25-9-11-26(46)12-10-25)39(63)55-32(21-28-7-6-16-70-28)41(65)57-37(24(2)3)43(67)56-33(22-35(47)60)40(64)54-30/h6-7,9-12,16,24,27,29-34,37,59H,4-5,8,13-15,17-23H2,1-3H3,(H2,47,60)(H,50,62)(H,53,66)(H,55,63)(H,56,67)(H,57,65)(H4,48,49,51)/t27-,29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525084
PNG
(CHEMBL4528032)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CCCNC(N)=N |r|
Show InChI InChI=1S/C43H63N11O10S2/c1-24(2)36-41(63)51-31(21-34(44)57)38(60)52-32(42(64)54-16-4-9-33(54)40(62)48-26(22-55)7-3-15-47-43(45)46)23-65-17-6-10-35(58)49-29(19-25-11-13-27(56)14-12-25)37(59)50-30(39(61)53-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,26,29-33,36,55-56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,44,57)(H,48,62)(H,49,58)(H,50,59)(H,51,63)(H,52,60)(H,53,61)(H4,45,46,47)/t26-,29-,30-,31-,32-,33-,36-/m0/s1
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UniProtKB/SwissProt

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n/an/an/an/a 0.100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525085
PNG
(CHEMBL4536454)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C44H63ClN12O9S3/c1-4-49-37(60)28(8-5-15-50-44(47)48)52-41(64)33-22-68-23-57(33)43(66)29-13-17-67-18-14-35(59)51-30(19-25-9-11-26(45)12-10-25)38(61)54-31(20-27-7-6-16-69-27)40(63)56-36(24(2)3)42(65)55-32(21-34(46)58)39(62)53-29/h6-7,9-12,16,24,28-33,36H,4-5,8,13-15,17-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,62)(H,54,61)(H,55,65)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1
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n/an/an/an/a 0.110n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301708
PNG
(US10131692, Compound 40)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N |r|
Show InChI InChI=1S/C41H58ClN11O8S3/c1-23(2)34-39(60)50-29(19-32(43)54)36(57)51-30(40(61)53-22-63-21-31(53)38(59)46-13-3-4-14-47-41(44)45)20-62-15-6-8-33(55)48-27(17-24-9-11-25(42)12-10-24)35(56)49-28(37(58)52-34)18-26-7-5-16-64-26/h5,7,9-12,16,23,27-31,34H,3-4,6,8,13-15,17-22H2,1-2H3,(H2,43,54)(H,46,59)(H,48,55)(H,49,56)(H,50,60)(H,51,57)(H,52,58)(H4,44,45,47)/t27-,28-,29-,30-,31-,34-/m0/s1
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n/an/an/an/a 0.120n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525079
PNG
(CHEMBL4532363)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CCCNC(N)=N |r|
Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)52-31(21-34(45)57)38(60)53-32(42(64)55-16-4-9-33(55)40(62)49-27(22-56)7-3-15-48-43(46)47)23-65-17-6-10-35(58)50-29(19-25-11-13-26(44)14-12-25)37(59)51-30(39(61)54-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,27,29-33,36,56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,59)(H,52,63)(H,53,60)(H,54,61)(H4,46,47,48)/t27-,29-,30-,31-,32-,33-,36-/m0/s1
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n/an/an/an/a 0.140n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525077
PNG
(CHEMBL4472007)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCc1cccs1 |r|
Show InChI InChI=1S/C48H65ClN12O9S4/c1-27(2)40-46(69)58-35(23-38(50)62)43(66)59-36(47(70)61-26-72-25-37(61)45(68)56-32(9-3-16-54-48(51)52)41(64)53-17-15-30-7-4-19-73-30)24-71-18-6-10-39(63)55-33(21-28-11-13-29(49)14-12-28)42(65)57-34(44(67)60-40)22-31-8-5-20-74-31/h4-5,7-8,11-14,19-20,27,32-37,40H,3,6,9-10,15-18,21-26H2,1-2H3,(H2,50,62)(H,53,64)(H,55,63)(H,56,68)(H,57,65)(H,58,69)(H,59,66)(H,60,67)(H4,51,52,54)/t32-,33+,34+,35+,36+,37+,40+/m1/s1
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n/an/an/an/a 0.170n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301681
PNG
(US10131692, Compound 13)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[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)NCc1ccccc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C50H65ClN12O9S2/c1-29(2)42-48(71)60-37(26-40(52)64)45(68)61-38(49(72)63-21-7-14-39(63)47(70)58-34(13-6-20-55-50(53)54)43(66)56-27-31-10-4-3-5-11-31)28-73-22-9-15-41(65)57-35(24-30-16-18-32(51)19-17-30)44(67)59-36(46(69)62-42)25-33-12-8-23-74-33/h3-5,8,10-12,16-19,23,29,34-39,42H,6-7,9,13-15,20-22,24-28H2,1-2H3,(H2,52,64)(H,56,66)(H,58,70)(H,59,67)(H,60,71)(H,62,69)(H4,53,54,55)/t34-,35+,36+,37+,38+,39+,42+/m1/s1
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n/an/an/an/a 0.190n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525078
PNG
(CHEMBL4444891)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCN |r|
Show InChI InChI=1S/C41H59N9O9S2/c1-24(2)35-40(58)47-30(22-33(43)52)37(55)48-31(41(59)50-17-5-9-32(50)39(57)44-16-4-3-15-42)23-60-18-7-10-34(53)45-28(20-25-11-13-26(51)14-12-25)36(54)46-29(38(56)49-35)21-27-8-6-19-61-27/h6,8,11-14,19,24,28-32,35,51H,3-5,7,9-10,15-18,20-23,42H2,1-2H3,(H2,43,52)(H,44,57)(H,45,53)(H,46,54)(H,47,58)(H,48,55)(H,49,56)/t28-,29-,30-,31-,32-,35-/m0/s1
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n/an/an/an/a 0.190n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525086
PNG
(CHEMBL4459424)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C45H65ClN12O9S2/c1-4-50-38(61)29(9-5-17-51-45(48)49)53-42(65)34-10-6-18-58(34)44(67)30-15-20-68-21-16-36(60)52-31(22-26-11-13-27(46)14-12-26)39(62)55-32(23-28-8-7-19-69-28)41(64)57-37(25(2)3)43(66)56-33(24-35(47)59)40(63)54-30/h7-8,11-14,19,25,29-34,37H,4-6,9-10,15-18,20-24H2,1-3H3,(H2,47,59)(H,50,61)(H,52,60)(H,53,65)(H,54,63)(H,55,62)(H,56,66)(H,57,64)(H4,48,49,51)/t29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 0.190n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50205308
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#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/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay

J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525076
PNG
(CHEMBL4571464)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C47H69ClN12O10S2/c1-25(2)23-53-40(64)31(8-5-15-52-47(50)51)55-44(68)36-20-29(61)24-60(36)46(70)32-13-17-71-18-14-38(63)54-33(19-27-9-11-28(48)12-10-27)41(65)57-34(21-30-7-6-16-72-30)43(67)59-39(26(3)4)45(69)58-35(22-37(49)62)42(66)56-32/h6-7,9-12,16,25-26,29,31-36,39,61H,5,8,13-15,17-24H2,1-4H3,(H2,49,62)(H,53,64)(H,54,63)(H,55,68)(H,56,66)(H,57,65)(H,58,69)(H,59,67)(H4,50,51,52)/t29-,31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50205308
PNG
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)
Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#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/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301680
PNG
(US10131692, Compound 12)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[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)NCC1CC1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C47H65ClN12O9S2/c1-26(2)39-45(68)57-34(23-37(49)61)42(65)58-35(46(69)60-18-4-9-36(60)44(67)55-31(8-3-17-52-47(50)51)40(63)53-24-28-11-12-28)25-70-19-6-10-38(62)54-32(21-27-13-15-29(48)16-14-27)41(64)56-33(43(66)59-39)22-30-7-5-20-71-30/h5,7,13-16,20,26,28,31-36,39H,3-4,6,8-12,17-19,21-25H2,1-2H3,(H2,49,61)(H,53,63)(H,55,67)(H,56,64)(H,57,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 0.210n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301703
PNG
(US10131692, Compound 35)
Show SMILES CCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C45H65ClN12O9S3/c1-4-15-50-38(61)29(9-5-16-51-45(48)49)53-42(65)34-23-69-24-58(34)44(67)33-22-68-17-7-10-36(60)52-30(19-26-11-13-27(46)14-12-26)39(62)54-31(20-28-8-6-18-70-28)41(64)57-37(25(2)3)43(66)55-32(21-35(47)59)40(63)56-33/h6,8,11-14,18,25,29-34,37H,4-5,7,9-10,15-17,19-24H2,1-3H3,(H2,47,59)(H,50,61)(H,52,60)(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,64)(H4,48,49,51)/t29-,30+,31+,32+,33+,34+,37+/m1/s1
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n/an/an/an/a 0.210n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301686
PNG
(US10131692, Compound 18)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
Show InChI InChI=1S/C47H67ClN12O9S2/c1-26(2)25-53-40(63)31(9-5-17-52-47(50)51)55-44(67)36-10-6-18-60(36)46(69)32-15-20-70-21-16-38(62)54-33(22-28-11-13-29(48)14-12-28)41(64)57-34(23-30-8-7-19-71-30)43(66)59-39(27(3)4)45(68)58-35(24-37(49)61)42(65)56-32/h7-8,11-14,19,26-27,31-36,39H,5-6,9-10,15-18,20-25H2,1-4H3,(H2,49,61)(H,53,63)(H,55,67)(H,57,64)(H,58,68)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 0.220n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301709
PNG
(US10131692, Compound 41)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N |r|
Show InChI InChI=1S/C43H59ClFN11O8S2/c1-24(2)36-41(63)53-31(20-34(46)57)38(60)54-32(42(64)56-23-66-22-33(56)40(62)49-15-3-4-16-50-43(47)48)21-65-17-5-6-35(58)51-29(18-25-7-11-27(44)12-8-25)37(59)52-30(39(61)55-36)19-26-9-13-28(45)14-10-26/h7-14,24,29-33,36H,3-6,15-23H2,1-2H3,(H2,46,57)(H,49,62)(H,51,58)(H,52,59)(H,53,63)(H,54,60)(H,55,61)(H4,47,48,50)/t29-,30-,31-,32-,33-,36-/m0/s1
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n/an/an/an/a 0.220n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301673
PNG
(US10131692, Compound 5)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C47H69ClN12O9S2/c1-26(2)24-53-40(63)31(10-5-17-52-47(50)51)55-44(67)36-11-6-18-60(36)46(69)35-25-70-19-8-12-38(62)54-32(21-28-13-15-29(48)16-14-28)41(64)56-33(22-30-9-7-20-71-30)43(66)59-39(27(3)4)45(68)57-34(23-37(49)61)42(65)58-35/h7,9,13-16,20,26-27,31-36,39H,5-6,8,10-12,17-19,21-25H2,1-4H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 0.220n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301679
PNG
(US10131692, Compound 11)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[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)NC1CC1 |r|
Show InChI InChI=1S/C46H65ClN12O9S2/c1-25(2)38-44(67)56-33(23-36(48)60)41(64)57-34(45(68)59-18-4-9-35(59)43(66)54-30(8-3-17-51-46(49)50)39(62)52-28-15-16-28)24-69-19-6-10-37(61)53-31(21-26-11-13-27(47)14-12-26)40(63)55-32(42(65)58-38)22-29-7-5-20-70-29/h5,7,11-14,20,25,28,30-35,38H,3-4,6,8-10,15-19,21-24H2,1-2H3,(H2,48,60)(H,52,62)(H,53,61)(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,65)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 0.230n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301684
PNG
(US10131692, Compound 16 | US10131692, Compound 27)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
Show InChI InChI=1S/C47H67ClN12O10S2/c1-25(2)22-53-40(64)31(9-5-15-52-47(50)51)55-44(68)36-19-29(61)23-60(36)46(70)35-24-71-16-7-10-38(63)54-32(18-27-11-13-28(48)14-12-27)41(65)56-33(20-30-8-6-17-72-30)43(67)59-39(26(3)4)45(69)57-34(21-37(49)62)42(66)58-35/h6,8,11-14,17,25-26,29,31-36,39,61H,5,7,9-10,15-16,18-24H2,1-4H3,(H2,49,62)(H,53,64)(H,55,68)(H,56,65)(H,57,69)(H,59,67)(H4,50,51,52)/t29-,31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 0.230n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301689
PNG
(US10131692, Compound 21)
Show SMILES CCN(CC)C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
Show InChI InChI=1S/C47H67ClN12O9S2/c1-5-59(6-2)45(68)31(12-7-19-52-47(50)51)54-43(66)36-13-8-20-60(36)46(69)35-26-70-21-10-14-38(62)53-32(23-28-15-17-29(48)18-16-28)40(63)55-33(24-30-11-9-22-71-30)42(65)58-39(27(3)4)44(67)56-34(25-37(49)61)41(64)57-35/h9,11,15-18,22,27,31-36,39H,5-8,10,12-14,19-21,23-26H2,1-4H3,(H2,49,61)(H,54,66)(H,55,63)(H,56,67)(H,58,65)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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UniProtKB/SwissProt

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n/an/an/an/a 0.25n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301682
PNG
(US10131692, Compound 14)
Show SMILES CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C47H69ClN12O9S2/c1-4-5-18-52-40(63)31(11-6-19-53-47(50)51)55-44(67)36-12-7-20-60(36)46(69)35-26-70-21-9-13-38(62)54-32(23-28-14-16-29(48)17-15-28)41(64)56-33(24-30-10-8-22-71-30)43(66)59-39(27(2)3)45(68)57-34(25-37(49)61)42(65)58-35/h8,10,14-17,22,27,31-36,39H,4-7,9,11-13,18-21,23-26H2,1-3H3,(H2,49,61)(H,52,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,53)/t31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 0.260n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525074
PNG
(CHEMBL4555263)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[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)NCc1ccccc1 |r|
Show InChI InChI=1S/C50H68N12O10S2/c1-29(2)42-48(71)59-37(26-40(51)64)45(68)60-38(49(72)62-21-7-14-39(62)47(70)57-34(13-6-20-54-50(52)53)43(66)55-27-31-10-4-3-5-11-31)28-73-22-9-15-41(65)56-35(24-30-16-18-32(63)19-17-30)44(67)58-36(46(69)61-42)25-33-12-8-23-74-33/h3-5,8,10-12,16-19,23,29,34-39,42,63H,6-7,9,13-15,20-22,24-28H2,1-2H3,(H2,51,64)(H,55,66)(H,56,65)(H,57,70)(H,58,67)(H,59,71)(H,60,68)(H,61,69)(H4,52,53,54)/t34-,35+,36+,37+,38+,39+,42+/m1/s1
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n/an/an/an/a 0.260n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525082
PNG
(CHEMBL4451692)
Show SMILES CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C44H63ClN12O9S2/c1-24(2)36-42(65)54-31(22-34(46)58)39(62)55-32(43(66)57-17-5-10-33(57)41(64)52-28(37(60)49-3)9-4-16-50-44(47)48)23-67-18-7-11-35(59)51-29(20-25-12-14-26(45)15-13-25)38(61)53-30(40(63)56-36)21-27-8-6-19-68-27/h6,8,12-15,19,24,28-33,36H,4-5,7,9-11,16-18,20-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1
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n/an/an/an/a 0.270n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301694
PNG
(US10131692, Compound 26)
Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)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)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
Show InChI InChI=1S/C49H69ClN12O9S/c1-28(2)27-55-42(65)33(12-8-20-54-49(52)53)57-46(69)38-13-9-21-62(38)48(71)34-18-22-72-23-19-40(64)56-35(25-31-14-16-32(50)17-15-31)43(66)59-36(24-30-10-6-5-7-11-30)45(68)61-41(29(3)4)47(70)60-37(26-39(51)63)44(67)58-34/h5-7,10-11,14-17,28-29,33-38,41H,8-9,12-13,18-27H2,1-4H3,(H2,51,63)(H,55,65)(H,57,69)(H,59,66)(H,60,70)(H,61,68)(H4,52,53,54)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
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n/an/an/an/a 0.270n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301687
PNG
(US10131692, Compound 19)
Show SMILES CC(C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C47H69ClN12O9S2/c1-26(2)24-53-40(63)31(10-5-17-52-47(50)51)55-44(67)36-11-6-18-60(36)46(69)35-25-70-19-8-12-38(62)54-32(21-28-13-15-29(48)16-14-28)41(64)56-33(22-30-9-7-20-71-30)43(66)59-39(27(3)4)45(68)57-34(23-37(49)61)42(65)58-35/h7,9,13-16,20,26-27,31-36,39H,5-6,8,10-12,17-19,21-25H2,1-4H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32-,33-,34-,35-,36-,39-/m0/s1
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UniProtKB/SwissProt

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n/an/an/an/a 0.290n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301671
PNG
(US10131692, Compound 3)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C45H65ClN12O9S2/c1-4-50-38(61)29(10-5-17-51-45(48)49)53-42(65)34-11-6-18-58(34)44(67)33-24-68-19-8-12-36(60)52-30(21-26-13-15-27(46)16-14-26)39(62)54-31(22-28-9-7-20-69-28)41(64)57-37(25(2)3)43(66)55-32(23-35(47)59)40(63)56-33/h7,9,13-16,20,25,29-34,37H,4-6,8,10-12,17-19,21-24H2,1-3H3,(H2,47,59)(H,50,61)(H,52,60)(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,64)(H4,48,49,51)/t29-,30+,31+,32+,33+,34+,37+/m1/s1
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UniProtKB/SwissProt

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n/an/an/an/a 0.290n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525081
PNG
(CHEMBL4462616)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)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)N1 |r|
Show InChI InChI=1S/C47H67ClN12O10S/c1-4-52-40(64)31(12-8-18-53-47(50)51)55-44(68)36-22-30(61)24-60(36)46(70)35-25-71-19-9-13-38(63)54-32(21-28-14-16-29(48)17-15-28)41(65)56-33(20-27-10-6-5-7-11-27)43(67)59-39(26(2)3)45(69)57-34(23-37(49)62)42(66)58-35/h5-7,10-11,14-17,26,30-36,39,61H,4,8-9,12-13,18-25H2,1-3H3,(H2,49,62)(H,52,64)(H,54,63)(H,55,68)(H,56,65)(H,57,69)(H,58,66)(H,59,67)(H4,50,51,53)/t30-,31-,32+,33+,34+,35+,36+,39+/m1/s1
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n/an/an/an/a 0.290n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525083
PNG
(CHEMBL4439313)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCc1cccs1 |r|
Show InChI InChI=1S/C50H66ClFN12O9S3/c1-28(2)42-48(72)61-37(24-40(53)65)45(69)62-38(49(73)64-27-75-26-39(64)47(71)59-34(7-3-18-57-50(54)55)43(67)56-19-17-33-6-4-21-76-33)25-74-20-5-8-41(66)58-35(22-29-9-13-31(51)14-10-29)44(68)60-36(46(70)63-42)23-30-11-15-32(52)16-12-30/h4,6,9-16,21,28,34-39,42H,3,5,7-8,17-20,22-27H2,1-2H3,(H2,53,65)(H,56,67)(H,58,66)(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,70)(H4,54,55,57)/t34-,35+,36+,37+,38+,39+,42+/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301675
PNG
(US10131692, Compound 7)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r|
Show InChI InChI=1S/C44H61ClFN11O8S/c1-25(2)37-42(64)54-32(23-35(47)58)39(61)55-33(43(65)57-19-5-7-34(57)41(63)50-17-3-4-18-51-44(48)49)24-66-20-6-8-36(59)52-30(21-26-9-13-28(45)14-10-26)38(60)53-31(40(62)56-37)22-27-11-15-29(46)16-12-27/h9-16,25,30-34,37H,3-8,17-24H2,1-2H3,(H2,47,58)(H,50,63)(H,52,59)(H,53,60)(H,54,64)(H,55,61)(H,56,62)(H4,48,49,51)/t30-,31-,32-,33-,34-,37-/m0/s1
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n/an/an/an/a 0.310n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301707
PNG
(US10131692, Compound 39)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C49H65ClN12O9S3/c1-28(2)41-47(70)59-36(23-39(51)63)44(67)60-37(48(71)62-27-73-26-38(62)46(69)57-33(12-6-18-54-49(52)53)42(65)55-24-30-9-4-3-5-10-30)25-72-19-8-13-40(64)56-34(21-29-14-16-31(50)17-15-29)43(66)58-35(45(68)61-41)22-32-11-7-20-74-32/h3-5,7,9-11,14-17,20,28,33-38,41H,6,8,12-13,18-19,21-27H2,1-2H3,(H2,51,63)(H,55,65)(H,56,64)(H,57,69)(H,58,66)(H,59,70)(H,60,67)(H,61,68)(H4,52,53,54)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
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n/an/an/an/a 0.310n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301698
PNG
(US10131692, Compound 30)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C44H63ClN12O9S3/c1-4-49-37(60)28(9-5-16-50-44(47)48)52-41(64)33-10-6-17-57(33)43(66)32-23-69-68-19-15-35(59)51-29(20-25-11-13-26(45)14-12-25)38(61)53-30(21-27-8-7-18-67-27)40(63)56-36(24(2)3)42(65)54-31(22-34(46)58)39(62)55-32/h7-8,11-14,18,24,28-33,36H,4-6,9-10,15-17,19-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,61)(H,54,65)(H,55,62)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1
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UniProtKB/SwissProt

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n/an/an/an/a 0.320n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301672
PNG
(US10131692, Compound 4)
Show SMILES CCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C46H67ClN12O9S2/c1-4-17-51-39(62)30(10-5-18-52-46(49)50)54-43(66)35-11-6-19-59(35)45(68)34-25-69-20-8-12-37(61)53-31(22-27-13-15-28(47)16-14-27)40(63)55-32(23-29-9-7-21-70-29)42(65)58-38(26(2)3)44(67)56-33(24-36(48)60)41(64)57-34/h7,9,13-16,21,26,30-35,38H,4-6,8,10-12,17-20,22-25H2,1-3H3,(H2,48,60)(H,51,62)(H,53,61)(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,65)(H4,49,50,52)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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UniProtKB/SwissProt

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n/an/an/an/a 0.330n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301692
PNG
(US10131692, Compound 24)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C45H61ClFN11O9S/c1-25(2)38-43(66)55-33(22-36(48)60)40(63)56-34(44(67)58-18-4-7-35(58)42(65)52-30(23-59)6-3-17-51-45(49)50)24-68-19-5-8-37(61)53-31(20-26-9-13-28(46)14-10-26)39(62)54-32(41(64)57-38)21-27-11-15-29(47)16-12-27/h9-16,25,30-35,38,59H,3-8,17-24H2,1-2H3,(H2,48,60)(H,52,65)(H,54,62)(H,55,66)(H,57,64)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 0.350n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525080
PNG
(CHEMBL4521602)
Show SMILES CCc1ccc(C[C@@H]2NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3cccs3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(N)=N)cc1 |r|
Show InChI InChI=1S/C45H67N11O9S2/c1-4-27-13-15-28(16-14-27)21-31-39(60)52-32(22-30-10-7-20-67-30)41(62)55-38(26(2)3)43(64)53-33(23-36(46)58)40(61)54-34(25-66-19-8-12-37(59)51-31)44(65)56-18-6-11-35(56)42(63)50-29(24-57)9-5-17-49-45(47)48/h7,10,13-16,20,26,29,31-35,38,57H,4-6,8-9,11-12,17-19,21-25H2,1-3H3,(H2,46,58)(H,50,63)(H,51,59)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,47,48,49)/t29-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 0.350n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301697
PNG
(US10131692, Compound 29)
Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)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)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
Show InChI InChI=1S/C46H63ClN12O9S2/c1-4-51-39(62)30(12-8-19-52-46(49)50)54-43(66)35-13-9-20-59(35)45(68)34-25-70-69-21-18-37(61)53-31(23-28-14-16-29(47)17-15-28)40(63)55-32(22-27-10-6-5-7-11-27)42(65)58-38(26(2)3)44(67)56-33(24-36(48)60)41(64)57-34/h5-7,10-11,14-17,26,30-35,38H,4,8-9,12-13,18-25H2,1-3H3,(H2,48,60)(H,51,62)(H,54,66)(H,55,63)(H,56,67)(H,58,65)(H4,49,50,52)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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UniProtKB/SwissProt

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n/an/an/an/a 0.380n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM301670
PNG
(US10131692, Compound 2)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(C)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r|
Show InChI InChI=1S/C44H65N11O9S2/c1-25(2)37-42(63)52-32(22-35(45)57)39(60)53-33(43(64)55-17-5-10-34(55)41(62)49-28(23-56)8-4-16-48-44(46)47)24-65-18-7-11-36(58)50-30(20-27-14-12-26(3)13-15-27)38(59)51-31(40(61)54-37)21-29-9-6-19-66-29/h6,9,12-15,19,25,28,30-34,37,56H,4-5,7-8,10-11,16-18,20-24H2,1-3H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,59)(H,52,63)(H,53,60)(H,54,61)(H4,46,47,48)/t28-,30+,31+,32+,33+,34+,37+/m1/s1
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UniProtKB/SwissProt

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n/an/an/an/a 0.390n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50525075
PNG
(CHEMBL4436571)
Show SMILES CC(C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
Show InChI InChI=1S/C46H67ClN12O9S2/c1-25(2)38-44(67)56-33(23-36(48)60)41(64)57-34(45(68)59-18-6-11-35(59)43(66)54-30(39(62)52-26(3)4)10-5-17-51-46(49)50)24-69-19-8-12-37(61)53-31(21-27-13-15-28(47)16-14-27)40(63)55-32(42(65)58-38)22-29-9-7-20-70-29/h7,9,13-16,20,25-26,30-35,38H,5-6,8,10-12,17-19,21-24H2,1-4H3,(H2,48,60)(H,52,62)(H,53,61)(H,54,66)(H,55,63)(H,56,67)(H,57,64)(H,58,65)(H4,49,50,51)/t30-,31+,32+,33+,34+,35+,38+/m1/s1
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n/an/an/an/a 0.450n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...

J Med Chem 62: 4991-5005 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50350865
PNG
(CHEMBL1819440)
Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/an/a 0.450n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human vasopressin V2 receptor expressed in HEK293 cells by luciferase reporter gene assay

J Med Chem 54: 4388-98 (2011)


Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
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n/an/an/an/a 0.700n/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Agonist activity at V2 receptor (unknown origin) by cAMP accumulation assay

J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
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