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Compile Data Set for Download or QSAR

Found 320 hits of ec50 for UniProtKB: P30518   
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))		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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n/an/an/an/a 0.0500n/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))		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


(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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n/an/an/an/a 0.0700n/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))		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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n/an/an/an/a 0.0800n/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))		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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n/an/an/an/a 0.0800n/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))		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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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))		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))		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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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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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))		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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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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UniProtKB/SwissProt

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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))		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))		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))		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))		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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UniProtKB/SwissProt

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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))		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))		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))		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))		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))		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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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))		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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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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UniProtKB/SwissProt

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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))		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))		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))		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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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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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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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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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))		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))		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))		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
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 0.740n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding to human V2 receptor expressed in LV2 cells by cAMP production

Bioorg Med Chem Lett 16: 954-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.107
BindingDB Entry DOI: 10.7270/Q27945GR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM35703
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10j | racemat...)
Show SMILES CC1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H29ClF2N4O2/c1-20-11-14-36(19-20)22-9-10-24(26(31)16-22)29(39)37-15-12-30(32,33)25(23-7-2-3-8-27(23)37)17-28(38)35-18-21-6-4-5-13-34-21/h2-10,13,16-17,20H,11-12,14-15,18-19H2,1H3,(H,35,38)/b25-17-
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 14 -10.6n/an/a 1.25n/an/a7.423



Astellas Pharma Inc.



Assay Description
The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...

Bioorg Med Chem 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50350866
PNG
(CHEMBL1819441)
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]-c2ccccc2)-[#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 |r|
Show InChI InChI=1S/C46H65N15O11S2/c47-27-23-73-74-24-33(45(72)61-18-8-14-34(61)44(71)56-28(13-7-17-53-46(51)52)39(66)54-22-37(50)64)60-43(70)32(21-36(49)63)59-40(67)29(15-16-35(48)62)55-41(68)31(20-26-11-5-2-6-12-26)58-42(69)30(57-38(27)65)19-25-9-3-1-4-10-25/h1-6,9-12,27-34H,7-8,13-24,47H2,(H2,48,62)(H2,49,63)(H2,50,64)(H,54,66)(H,55,68)(H,56,71)(H,57,65)(H,58,69)(H,59,67)(H,60,70)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/an/a 1.40n/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
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