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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'robson' and Initial = 'pa'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246925
PNG
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-methyl...)
Show SMILES Cc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33)
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 200n/an/an/an/an/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human vasopressin V2 receptor expressed in HEK293 cells by radioligand binding assay

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246575
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
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 2.00E+3n/an/an/an/an/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human vasopressin V2 receptor expressed in HEK293 cells by radioligand binding assay

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50246925
PNG
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-methyl...)
Show SMILES Cc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Binding affinity to oxytocin receptor (unknown origin)

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50246575
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Binding affinity to oxytocin receptor (unknown origin)

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50246890
PNG
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]benzoyl)-...)
Show SMILES Fc1cccc(F)c1NC(=O)NCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H23F2N3O2/c26-20-8-5-9-21(27)23(20)29-25(32)28-16-17-11-13-19(14-12-17)24(31)30-15-4-3-7-18-6-1-2-10-22(18)30/h1-2,5-6,8-14H,3-4,7,15-16H2,(H2,28,29,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Binding affinity to oxytocin receptor (unknown origin)

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152972
PNG
((2S,4R)-4-Methoxy-2-(4-methyl-[1,4]diazepane-1-car...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCCN(C)CC1
Show InChI InChI=1S/C29H38ClN5O3S2/c1-32-10-5-11-33(14-13-32)28(39)25-17-22(38-2)19-35(25)29(37)31-18-21-8-7-20(16-23(21)30)27(36)34-12-4-3-6-26-24(34)9-15-40-26/h7-9,15-16,22,25H,3-6,10-14,17-19H2,1-2H3,(H,31,37)/t22-,25+/m1/s1
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n/an/an/an/a 430n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152973
PNG
((S)-2-(4-Methyl-[1,4]diazepane-1-carbothioyl)-pyrr...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C28H36ClN5O2S2/c1-31-11-5-12-32(16-15-31)27(37)24-6-4-14-34(24)28(36)30-19-21-9-8-20(18-22(21)29)26(35)33-13-3-2-7-25-23(33)10-17-38-25/h8-10,17-18,24H,2-7,11-16,19H2,1H3,(H,30,36)/t24-/m0/s1
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n/an/an/an/a 810n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152972
PNG
((2S,4R)-4-Methoxy-2-(4-methyl-[1,4]diazepane-1-car...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCCN(C)CC1
Show InChI InChI=1S/C29H38ClN5O3S2/c1-32-10-5-11-33(14-13-32)28(39)25-17-22(38-2)19-35(25)29(37)31-18-21-8-7-20(16-23(21)30)27(36)34-12-4-3-6-26-24(34)9-15-40-26/h7-9,15-16,22,25H,3-6,10-14,17-19H2,1-2H3,(H,31,37)/t22-,25+/m1/s1
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n/an/an/an/a 230n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152974
PNG
((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
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n/an/an/an/a 850n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152975
PNG
((2S,4R)-4-Methoxy-2-(2-pyridin-2-yl-ethylthiocarba...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)NCCc1ccccn1
Show InChI InChI=1S/C30H34ClN5O3S2/c1-39-23-17-26(28(40)33-13-10-22-6-2-4-12-32-22)36(19-23)30(38)34-18-21-9-8-20(16-24(21)31)29(37)35-14-5-3-7-27-25(35)11-15-41-27/h2,4,6,8-9,11-12,15-16,23,26H,3,5,7,10,13-14,17-19H2,1H3,(H,33,40)(H,34,38)/t23-,26+/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152976
PNG
((3S,5R)-4-Methoxy-pyrrolidine-1,2-dicarboxylic aci...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C30H34ClN5O4S/c1-40-23-17-26(28(37)33-13-10-22-6-2-4-12-32-22)36(19-23)30(39)34-18-21-9-8-20(16-24(21)31)29(38)35-14-5-3-7-27-25(35)11-15-41-27/h2,4,6,8-9,11-12,15-16,23,26H,3,5,7,10,13-14,17-19H2,1H3,(H,33,37)(H,34,39)/t23-,26+/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152977
PNG
((3S,5R)-4-Methoxy-2-(4-pyrrolidin-1-yl-piperidine-...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C32H42ClN5O4S/c1-42-25-19-28(31(40)36-15-9-24(10-16-36)35-12-4-5-13-35)38(21-25)32(41)34-20-23-8-7-22(18-26(23)33)30(39)37-14-3-2-6-29-27(37)11-17-43-29/h7-8,11,17-18,24-25,28H,2-6,9-10,12-16,19-21H2,1H3,(H,34,41)/t25-,28+/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152978
PNG
((3S,5R)-4-Methoxy-2-(4-methyl-[1,4]diazepane-1-car...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCCN(C)CC1
Show InChI InChI=1S/C29H38ClN5O4S/c1-32-10-5-11-33(14-13-32)28(37)25-17-22(39-2)19-35(25)29(38)31-18-21-8-7-20(16-23(21)30)27(36)34-12-4-3-6-26-24(34)9-15-40-26/h7-9,15-16,22,25H,3-6,10-14,17-19H2,1-2H3,(H,31,38)/t22-,25+/m1/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152979
PNG
((S)-2-(4-Methyl-[1,4]diazepane-1-carbothioyl)-pyrr...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C29H39N5O2S2/c1-21-19-22(27(35)33-14-4-3-8-26-24(33)11-18-38-26)9-10-23(21)20-30-29(36)34-15-5-7-25(34)28(37)32-13-6-12-31(2)16-17-32/h9-11,18-19,25H,3-8,12-17,20H2,1-2H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 890n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152980
PNG
((3S,5R)-2-([1,4'']Bipiperidinyl-1''-carbonyl)-4-me...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C33H44ClN5O4S/c1-43-26-20-29(32(41)37-16-10-25(11-17-37)36-13-4-2-5-14-36)39(22-26)33(42)35-21-24-9-8-23(19-27(24)34)31(40)38-15-6-3-7-30-28(38)12-18-44-30/h8-9,12,18-19,25-26,29H,2-7,10-11,13-17,20-22H2,1H3,(H,35,42)/t26-,29+/m1/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152981
PNG
((2S,4R)-4-Methoxy-2-(4-pyrrolidin-1-yl-piperidine-...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C32H42ClN5O3S2/c1-41-25-19-28(31(42)36-15-9-24(10-16-36)35-12-4-5-13-35)38(21-25)32(40)34-20-23-8-7-22(18-26(23)33)30(39)37-14-3-2-6-29-27(37)11-17-43-29/h7-8,11,17-18,24-25,28H,2-6,9-10,12-16,19-21H2,1H3,(H,34,40)/t25-,28+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152974
PNG
((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
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n/an/an/an/a 33n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152973
PNG
((S)-2-(4-Methyl-[1,4]diazepane-1-carbothioyl)-pyrr...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C28H36ClN5O2S2/c1-31-11-5-12-32(16-15-31)27(37)24-6-4-14-34(24)28(36)30-19-21-9-8-20(18-22(21)29)26(35)33-13-3-2-7-25-23(33)10-17-38-25/h8-10,17-18,24H,2-7,11-16,19H2,1H3,(H,30,36)/t24-/m0/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152977
PNG
((3S,5R)-4-Methoxy-2-(4-pyrrolidin-1-yl-piperidine-...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C32H42ClN5O4S/c1-42-25-19-28(31(40)36-15-9-24(10-16-36)35-12-4-5-13-35)38(21-25)32(41)34-20-23-8-7-22(18-26(23)33)30(39)37-14-3-2-6-29-27(37)11-17-43-29/h7-8,11,17-18,24-25,28H,2-6,9-10,12-16,19-21H2,1H3,(H,34,41)/t25-,28+/m1/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152980
PNG
((3S,5R)-2-([1,4'']Bipiperidinyl-1''-carbonyl)-4-me...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C33H44ClN5O4S/c1-43-26-20-29(32(41)37-16-10-25(11-17-37)36-13-4-2-5-14-36)39(22-26)33(42)35-21-24-9-8-23(19-27(24)34)31(40)38-15-6-3-7-30-28(38)12-18-44-30/h8-9,12,18-19,25-26,29H,2-7,10-11,13-17,20-22H2,1H3,(H,35,42)/t26-,29+/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152979
PNG
((S)-2-(4-Methyl-[1,4]diazepane-1-carbothioyl)-pyrr...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C29H39N5O2S2/c1-21-19-22(27(35)33-14-4-3-8-26-24(33)11-18-38-26)9-10-23(21)20-30-29(36)34-15-5-7-25(34)28(37)32-13-6-12-31(2)16-17-32/h9-11,18-19,25H,3-8,12-17,20H2,1-2H3,(H,30,36)/t25-/m0/s1
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n/an/an/an/a 640n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152982
PNG
((2S,4R)-4-Methoxy-pyrrolidine-1,2-dicarboxylic aci...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)NCCN(C)C
Show InChI InChI=1S/C27H36ClN5O4S/c1-31(2)12-10-29-25(34)23-15-20(37-3)17-33(23)27(36)30-16-19-8-7-18(14-21(19)28)26(35)32-11-5-4-6-24-22(32)9-13-38-24/h7-9,13-14,20,23H,4-6,10-12,15-17H2,1-3H3,(H,29,34)(H,30,36)/t20-,23+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152976
PNG
((3S,5R)-4-Methoxy-pyrrolidine-1,2-dicarboxylic aci...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C30H34ClN5O4S/c1-40-23-17-26(28(37)33-13-10-22-6-2-4-12-32-22)36(19-23)30(39)34-18-21-9-8-20(16-24(21)31)29(38)35-14-5-3-7-27-25(35)11-15-41-27/h2,4,6,8-9,11-12,15-16,23,26H,3,5,7,10,13-14,17-19H2,1H3,(H,33,37)(H,34,39)/t23-,26+/m1/s1
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n/an/an/an/a 570n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152975
PNG
((2S,4R)-4-Methoxy-2-(2-pyridin-2-yl-ethylthiocarba...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)NCCc1ccccn1
Show InChI InChI=1S/C30H34ClN5O3S2/c1-39-23-17-26(28(40)33-13-10-22-6-2-4-12-32-22)36(19-23)30(38)34-18-21-9-8-20(16-24(21)31)29(37)35-14-5-3-7-27-25(35)11-15-41-27/h2,4,6,8-9,11-12,15-16,23,26H,3,5,7,10,13-14,17-19H2,1H3,(H,33,40)(H,34,38)/t23-,26+/m1/s1
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n/an/an/an/a 470n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50152982
PNG
((2S,4R)-4-Methoxy-pyrrolidine-1,2-dicarboxylic aci...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)NCCN(C)C
Show InChI InChI=1S/C27H36ClN5O4S/c1-31(2)12-10-29-25(34)23-15-20(37-3)17-33(23)27(36)30-16-19-8-7-18(14-21(19)28)26(35)32-11-5-4-6-24-22(32)9-13-38-24/h7-9,13-14,20,23H,4-6,10-12,15-17H2,1-3H3,(H,29,34)(H,30,36)/t20-,23+/m1/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Vassopressin V2 receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152978
PNG
((3S,5R)-4-Methoxy-2-(4-methyl-[1,4]diazepane-1-car...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCCN(C)CC1
Show InChI InChI=1S/C29H38ClN5O4S/c1-32-10-5-11-33(14-13-32)28(37)25-17-22(39-2)19-35(25)29(38)31-18-21-8-7-20(16-23(21)30)27(36)34-12-4-3-6-26-24(34)9-15-40-26/h7-9,15-16,22,25H,3-6,10-14,17-19H2,1-2H3,(H,31,38)/t22-,25+/m1/s1
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n/an/an/an/a 2.80E+3n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50152981
PNG
((2S,4R)-4-Methoxy-2-(4-pyrrolidin-1-yl-piperidine-...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C32H42ClN5O3S2/c1-41-25-19-28(31(42)36-15-9-24(10-16-36)35-12-4-5-13-35)38(21-25)32(40)34-20-23-8-7-22(18-26(23)33)30(39)37-14-3-2-6-29-27(37)11-17-43-29/h7-8,11,17-18,24-25,28H,2-6,9-10,12-16,19-21H2,1H3,(H,34,40)/t25-,28+/m1/s1
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n/an/an/an/a 480n/an/an/an/a



Ferring Research Ltd

Curated by ChEMBL


Assay Description
Effective concentration for human Oxytocin receptor

Bioorg Med Chem Lett 14: 4585-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.107
BindingDB Entry DOI: 10.7270/Q2DF6QPR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246608
PNG
((4R)-4-Methoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
Show InChI InChI=1S/C28H36N4O4/c1-19-15-21(26(33)31-14-8-7-10-20-9-5-6-11-24(20)31)12-13-22(19)17-29-28(35)32-18-23(36-4)16-25(32)27(34)30(2)3/h5-6,9,11-13,15,23,25H,7-8,10,14,16-18H2,1-4H3,(H,29,35)/t23-,25+/m1/s1
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n/an/an/an/a 4.70n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246609
PNG
((4R)-4-Ethoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-...)
Show SMILES CCO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
Show InChI InChI=1S/C29H38N4O4/c1-5-37-24-17-26(28(35)31(3)4)33(19-24)29(36)30-18-23-14-13-22(16-20(23)2)27(34)32-15-9-8-11-21-10-6-7-12-25(21)32/h6-7,10,12-14,16,24,26H,5,8-9,11,15,17-19H2,1-4H3,(H,30,36)/t24-,26+/m1/s1
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n/an/an/an/a 4.30n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246610
PNG
((4R)-4-tert-Butoxyoxy-1-(2-methyl-4-(2,3,4,5-tetra...)
Show SMILES CN(C)C(=O)[C@@H]1C[C@H](CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)OC(C)(C)C |r|
Show InChI InChI=1S/C31H42N4O4/c1-21-17-23(28(36)34-16-10-9-12-22-11-7-8-13-26(22)34)14-15-24(21)19-32-30(38)35-20-25(39-31(2,3)4)18-27(35)29(37)33(5)6/h7-8,11,13-15,17,25,27H,9-10,12,16,18-20H2,1-6H3,(H,32,38)/t25-,27+/m1/s1
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n/an/an/an/a 46n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246611
PNG
((4R)-4-Benzyloxy-1-(2-methyl-4-(2,3,4,5-tetrahydro...)
Show SMILES CN(C)C(=O)[C@@H]1C[C@H](CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)OCc1ccccc1 |r|
Show InChI InChI=1S/C34H40N4O4/c1-24-19-27(32(39)37-18-10-9-14-26-13-7-8-15-30(26)37)16-17-28(24)21-35-34(41)38-22-29(20-31(38)33(40)36(2)3)42-23-25-11-5-4-6-12-25/h4-8,11-13,15-17,19,29,31H,9-10,14,18,20-23H2,1-3H3,(H,35,41)/t29-,31+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246612
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CN(C)C(=O)[C@@H]1CC(=O)CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
Show InChI InChI=1S/C27H32N4O4/c1-18-14-20(25(33)30-13-7-6-9-19-8-4-5-10-23(19)30)11-12-21(18)16-28-27(35)31-17-22(32)15-24(31)26(34)29(2)3/h4-5,8,10-12,14,24H,6-7,9,13,15-17H2,1-3H3,(H,28,35)/t24-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246642
PNG
(4,4-Difluoro-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-b...)
Show SMILES CN(C)C(=O)[C@@H]1CC(CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(F)F |r|
Show InChI InChI=1S/C28H34F2N4O3/c1-18-14-20(26(35)33-13-7-6-9-19-8-4-5-10-23(19)33)11-12-21(18)16-31-28(37)34-17-22(25(29)30)15-24(34)27(36)32(2)3/h4-5,8,10-12,14,22,24-25H,6-7,9,13,15-17H2,1-3H3,(H,31,37)/t22?,24-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246643
PNG
(4,4-Dimethoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-...)
Show SMILES COC(OC)C1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
Show InChI InChI=1S/C30H40N4O5/c1-20-16-22(27(35)33-15-9-8-11-21-10-6-7-12-25(21)33)13-14-23(20)18-31-30(37)34-19-24(29(38-4)39-5)17-26(34)28(36)32(2)3/h6-7,10,12-14,16,24,26,29H,8-9,11,15,17-19H2,1-5H3,(H,31,37)/t24?,26-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246644
PNG
(1-(4-(5-Hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCC(O)c2ccccc12 |r|
Show InChI InChI=1S/C27H34N4O4/c1-18-16-19(25(33)30-14-7-11-24(32)21-8-4-5-9-22(21)30)12-13-20(18)17-28-27(35)31-15-6-10-23(31)26(34)29(2)3/h4-5,8-9,12-13,16,23-24,32H,6-7,10-11,14-15,17H2,1-3H3,(H,28,35)/t23-,24?/m0/s1
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n/an/an/an/a 230n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246645
PNG
(1-(2-Methyl-4-(5-methyl-2,3,4,5-tetrahydro-1-benza...)
Show SMILES CC1CCCN(C(=O)c2ccc(CNC(=O)N3CCC[C@H]3C(=O)N(C)C)c(C)c2)c2ccccc12 |r|
Show InChI InChI=1S/C28H36N4O3/c1-19-9-7-15-31(24-11-6-5-10-23(19)24)26(33)21-13-14-22(20(2)17-21)18-29-28(35)32-16-8-12-25(32)27(34)30(3)4/h5-6,10-11,13-14,17,19,25H,7-9,12,15-16,18H2,1-4H3,(H,29,35)/t19?,25-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246719
PNG
(1-(4-(5,5-Difluoro-2,3,4,5-tetrahydro-1-benzazepin...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCC(F)(F)c2ccccc12 |r|
Show InChI InChI=1S/C27H32F2N4O3/c1-18-16-19(24(34)32-15-7-13-27(28,29)21-8-4-5-9-22(21)32)11-12-20(18)17-30-26(36)33-14-6-10-23(33)25(35)31(2)3/h4-5,8-9,11-12,16,23H,6-7,10,13-15,17H2,1-3H3,(H,30,36)/t23-/m0/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246720
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1,5-benzoxazepin...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCOc2ccccc12 |r|
Show InChI InChI=1S/C26H32N4O4/c1-18-16-19(24(31)29-14-7-15-34-23-10-5-4-8-21(23)29)11-12-20(18)17-27-26(33)30-13-6-9-22(30)25(32)28(2)3/h4-5,8,10-12,16,22H,6-7,9,13-15,17H2,1-3H3,(H,27,33)/t22-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246721
PNG
(1-(4-(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cccn2Cc2ccccc12 |r|
Show InChI InChI=1S/C29H33N5O3/c1-20-16-21(12-13-22(20)17-30-29(37)33-15-7-11-26(33)28(36)31(2)3)27(35)34-19-24-9-6-14-32(24)18-23-8-4-5-10-25(23)34/h4-6,8-10,12-14,16,26H,7,11,15,17-19H2,1-3H3,(H,30,37)/t26-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246722
PNG
(1-(4-(6,7-Dihydro-5H-dibenzo[b,d]azepin-5-ylcarbon...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCc2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C31H34N4O3/c1-21-19-23(14-15-24(21)20-32-31(38)35-17-8-13-28(35)30(37)33(2)3)29(36)34-18-16-22-9-4-5-10-25(22)26-11-6-7-12-27(26)34/h4-7,9-12,14-15,19,28H,8,13,16-18,20H2,1-3H3,(H,32,38)/t28-/m0/s1
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n/an/an/an/a 84n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246765
PNG
(1-(4-(6,7-Dihydro-5H-pyrrolo[1,2-a][1,5]benzodiaze...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCc2cccn2-c2ccccc12 |r|
Show InChI InChI=1S/C29H33N5O3/c1-20-18-21(12-13-22(20)19-30-29(37)34-16-7-11-26(34)28(36)31(2)3)27(35)33-17-14-23-8-6-15-32(23)24-9-4-5-10-25(24)33/h4-6,8-10,12-13,15,18,26H,7,11,14,16-17,19H2,1-3H3,(H,30,37)/t26-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50246925
PNG
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-methyl...)
Show SMILES Cc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C26H25F2N3O2/c1-17-15-19(25(32)31-14-5-4-8-18-7-2-3-11-23(18)31)12-13-20(17)16-29-26(33)30-24-21(27)9-6-10-22(24)28/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H2,29,30,33)
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n/an/an/an/a 13n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase reporter...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50246609
PNG
((4R)-4-Ethoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-...)
Show SMILES CCO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
Show InChI InChI=1S/C29H38N4O4/c1-5-37-24-17-26(28(35)31(3)4)33(19-24)29(36)30-18-23-14-13-22(16-20(23)2)27(34)32-15-9-8-11-21-10-6-7-12-25(21)32/h6-7,10,12-14,16,24,26H,5,8-9,11,15,17-19H2,1-4H3,(H,30,36)/t24-,26+/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase reporter...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50246608
PNG
((4R)-4-Methoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
Show InChI InChI=1S/C28H36N4O4/c1-19-15-21(26(33)31-14-8-7-10-20-9-5-6-11-24(20)31)12-13-22(19)17-29-28(35)32-18-23(36-4)16-25(32)27(34)30(2)3/h5-6,9,11-13,15,23,25H,7-8,10,14,16-18H2,1-4H3,(H,29,35)/t23-,25+/m1/s1
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n/an/an/an/a 65n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase reporter...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50246596
PNG
((4R)-4-Hydroxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1...)
Show SMILES CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
Show InChI InChI=1S/C27H34N4O4/c1-18-14-20(25(33)30-13-7-6-9-19-8-4-5-10-23(19)30)11-12-21(18)16-28-27(35)31-17-22(32)15-24(31)26(34)29(2)3/h4-5,8,10-12,14,22,24,32H,6-7,9,13,15-17H2,1-3H3,(H,28,35)/t22-,24+/m1/s1
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n/an/an/an/a 41n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase reporter...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50246575
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase reporter...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50240946
PNG
(1-(4-[N-(2-dimethylamino-2-oxoethylcarbamoyl)amino...)
Show SMILES CN(C)C(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C24H30N4O3/c1-17-14-19(11-12-20(17)15-25-24(31)26-16-22(29)27(2)3)23(30)28-13-7-6-9-18-8-4-5-10-21(18)28/h4-5,8,10-12,14H,6-7,9,13,15-16H2,1-3H3,(H2,25,26,31)
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n/an/an/an/a 50n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase reporter...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246958
PNG
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3-ethylb...)
Show SMILES CCc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C27H27F2N3O2/c1-2-18-16-20(26(33)32-15-6-5-9-19-8-3-4-12-24(19)32)13-14-21(18)17-30-27(34)31-25-22(28)10-7-11-23(25)29/h3-4,7-8,10-14,16H,2,5-6,9,15,17H2,1H3,(H2,30,31,34)
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n/an/an/an/a 10n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246959
PNG
(1-(4-[3-(2,6-Difluorophenyl)ureidomethyl]-3,5-dime...)
Show SMILES Cc1cc(cc(C)c1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C27H27F2N3O2/c1-17-14-20(26(33)32-13-6-5-9-19-8-3-4-12-24(19)32)15-18(2)21(17)16-30-27(34)31-25-22(28)10-7-11-23(25)29/h3-4,7-8,10-12,14-15H,5-6,9,13,16H2,1-2H3,(H2,30,31,34)
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n/an/an/an/a 82n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50246889
PNG
(1-(4-[3-(2-Fluorophenyl)ureidomethyl]-3-methylbenz...)
Show SMILES Cc1cc(ccc1CNC(=O)Nc1ccccc1F)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C26H26FN3O2/c1-18-16-20(25(31)30-15-7-6-9-19-8-2-5-12-24(19)30)13-14-21(18)17-28-26(32)29-23-11-4-3-10-22(23)27/h2-5,8,10-14,16H,6-7,9,15,17H2,1H3,(H2,28,29,32)
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n/an/an/an/a 30n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...

J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
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