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PubMed code 20471258

Compile data set for download or QSAR
Found 117 hits of Enzyme Inhibition Constant Data   
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 V1a receptor


(Homo sapiens (Human))		BDBM50319772
PNG
((2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-trimethyl-6...)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C24H29NO/c1-17-7-5-6-8-21(17)18-9-11-19(12-10-18)22(26)25-16-24(4)14-20(25)13-23(2,3)15-24/h5-12,20H,13-16H2,1-4H3/t20-,24-/m1/s1
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 0.0500n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319776
PNG
((2,2'-dimethylbiphenyl-4-yl)((1S,5R)-1,3,3-trimeth...)
Show SMILES Cc1ccccc1-c1ccc(cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO/c1-17-8-6-7-9-21(17)22-11-10-19(12-18(22)2)23(27)26-16-25(5)14-20(26)13-24(3,4)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1
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 0.0600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319799
PNG
((4-(1H-indol-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1c[nH]c2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H30N2O2/c1-25(2)12-18-13-26(3,15-25)16-28(18)24(29)17-9-10-20(23(11-17)30-4)21-14-27-22-8-6-5-7-19(21)22/h5-11,14,18,27H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319774
PNG
((3-chloro-2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-tr...)
Show SMILES Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClNO/c1-16-7-5-6-8-19(16)17-9-10-20(21(25)11-17)22(27)26-15-24(4)13-18(26)12-23(2,3)14-24/h5-11,18H,12-15H2,1-4H3/t18-,24-/m1/s1
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 0.310n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
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 0.360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319788
PNG
(CHEMBL1084325 | N-(2'-methoxy-4'-((1S,5R)-1,3,3-tr...)
Show SMILES COc1cc(ccc1-c1cccc(NC(C)=O)c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H32N2O3/c1-17(29)27-20-8-6-7-18(11-20)22-10-9-19(12-23(22)31-5)24(30)28-16-26(4)14-21(28)13-25(2,3)15-26/h6-12,21H,13-16H2,1-5H3,(H,27,29)/t21-,26-/m1/s1
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 0.370n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
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 0.430n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319780
PNG
((2-chloro-5-methoxy-2'-methylbiphenyl-4-yl)((1S,5R...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1ccccc1C |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-8-6-7-9-18(16)19-11-22(29-5)20(10-21(19)26)23(28)27-15-25(4)13-17(27)12-24(2,3)14-25/h6-11,17H,12-15H2,1-5H3/t17-,25-/m1/s1
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 0.540n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319782
PNG
((2-methoxy-2',6'-dimethylbiphenyl-4-yl)((1S,5R)-1,...)
Show SMILES COc1cc(ccc1-c1c(C)cccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r,wU:23.24,20.22,(7.58,-29.96,;8.94,-30.72,;10.28,-29.93,;10.27,-28.4,;11.6,-27.62,;12.94,-28.38,;12.94,-29.92,;11.61,-30.69,;11.62,-32.23,;10.29,-33,;8.96,-32.23,;10.29,-34.55,;11.62,-35.32,;12.96,-34.54,;12.95,-32.99,;14.29,-32.21,;11.59,-26.08,;10.26,-25.31,;12.92,-25.3,;13.87,-26.51,;15.41,-26.52,;16.03,-27.93,;14.61,-24.55,;13.28,-23.79,;14.67,-23.14,;16.05,-23.83,;16.45,-22.33,;17.54,-23.42,;16.39,-25.33,)|
Show InChI InChI=1S/C26H33NO2/c1-17-8-7-9-18(2)23(17)21-11-10-19(12-22(21)29-6)24(28)27-16-26(5)14-20(27)13-25(3,4)15-26/h7-12,20H,13-16H2,1-6H3/t20-,26-/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319806
PNG
((3-methoxy-4-(quinolin-8-yl)phenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1cccc2cccnc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C27H30N2O2/c1-26(2)14-20-15-27(3,16-26)17-29(20)25(30)19-10-11-21(23(13-19)31-4)22-9-5-7-18-8-6-12-28-24(18)22/h5-13,20H,14-17H2,1-4H3/t20-,27-/m1/s1
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 0.710n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319797
PNG
((4-(benzo[b]thiophen-3-yl)-3-methoxyphenyl)((1S,5R...)
Show SMILES COc1cc(ccc1-c1csc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H29NO2S/c1-25(2)12-18-13-26(3,15-25)16-27(18)24(28)17-9-10-19(22(11-17)29-4)21-14-30-23-8-6-5-7-20(21)23/h5-11,14,18H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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 0.790n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319792
PNG
((2-methoxy-4'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1ccc(C)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO2/c1-17-6-8-18(9-7-17)21-11-10-19(12-22(21)28-5)23(27)26-16-25(4)14-20(26)13-24(2,3)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319787
PNG
(2'-methoxy-N-methyl-4'-((1S,5R)-1,3,3-trimethyl-6-...)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1OC)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H32N2O3/c1-25(2)13-20-14-26(3,15-25)16-28(20)24(30)19-9-10-21(22(12-19)31-5)17-7-6-8-18(11-17)23(29)27-4/h6-12,20H,13-16H2,1-5H3,(H,27,29)/t20-,26-/m1/s1
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 1.03n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319803
PNG
((4-(2-chloro-1,2-pyridin-3-yl)-3-methoxyphenyl)((1...)
Show SMILES COc1cc(ccc1-c1cccnc1Cl)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C23H27ClN2O2/c1-22(2)11-16-12-23(3,13-22)14-26(16)21(27)15-7-8-17(19(10-15)28-4)18-6-5-9-25-20(18)24/h5-10,16H,11-14H2,1-4H3/t16-,23-/m1/s1
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 1.07n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319791
PNG
((4'-chloro-2-methoxy-2'-methylbiphenyl-4-yl)((1S,5...)
Show SMILES COc1cc(ccc1-c1ccc(Cl)cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-10-18(26)7-9-20(16)21-8-6-17(11-22(21)29-5)23(28)27-15-25(4)13-19(27)12-24(2,3)14-25/h6-11,19H,12-15H2,1-5H3/t19-,25-/m1/s1
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 2.26n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319784
PNG
((2''-Methoxy-[1,1',2',1'']terphenyl-4''-yl)-((1S,5...)
Show SMILES COc1cc(ccc1-c1ccccc1-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H33NO2/c1-29(2)17-23-18-30(3,19-29)20-31(23)28(32)22-14-15-26(27(16-22)33-4)25-13-9-8-12-24(25)21-10-6-5-7-11-21/h5-16,23H,17-20H2,1-4H3/t23-,30-/m1/s1
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 2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319785
PNG
((5'-chloro-2-methoxy-2'-methylbiphenyl-4-yl)((1S,5...)
Show SMILES COc1cc(ccc1-c1cc(Cl)ccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-6-8-18(26)11-21(16)20-9-7-17(10-22(20)29-5)23(28)27-15-25(4)13-19(27)12-24(2,3)14-25/h6-11,19H,12-15H2,1-5H3/t19-,25-/m1/s1
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 2.75n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319796
PNG
((4-(benzo[b]thiophen-2-yl)-3-methoxyphenyl)((1S,5R...)
Show SMILES COc1cc(ccc1-c1cc2ccccc2s1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H29NO2S/c1-25(2)13-19-14-26(3,15-25)16-27(19)24(28)18-9-10-20(21(11-18)29-4)23-12-17-7-5-6-8-22(17)30-23/h5-12,19H,13-16H2,1-4H3/t19-,26-/m1/s1
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 3.78n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319794
PNG
((4-(benzofuran-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,...)
Show SMILES COc1cc(ccc1-c1coc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H29NO3/c1-25(2)12-18-13-26(3,15-25)16-27(18)24(28)17-9-10-20(23(11-17)29-4)21-14-30-22-8-6-5-7-19(21)22/h5-11,14,18H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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 3.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319786
PNG
((2-methoxy-3'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1cccc(C)c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO2/c1-17-7-6-8-18(11-17)21-10-9-19(12-22(21)28-5)23(27)26-16-25(4)14-20(26)13-24(2,3)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1
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 3.97n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319790
PNG
((4'-chloro-2-methoxybiphenyl-4-yl)((1S,5R)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1ccc(Cl)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C24H28ClNO2/c1-23(2)12-19-13-24(3,14-23)15-26(19)22(27)17-7-10-20(21(11-17)28-4)16-5-8-18(25)9-6-16/h5-11,19H,12-15H2,1-4H3/t19-,24-/m1/s1
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 4.42n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319800
PNG
((3-methoxy-4-(naphthalen-1-yl)phenyl)((1S,5R)-1,3,...)
Show SMILES COc1cc(ccc1-c1cccc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C28H31NO2/c1-27(2)15-21-16-28(3,17-27)18-29(21)26(30)20-12-13-24(25(14-20)31-4)23-11-7-9-19-8-5-6-10-22(19)23/h5-14,21H,15-18H2,1-4H3/t21-,28-/m1/s1
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 5.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319804
PNG
((3-methoxy-4-(quinolin-3-yl)phenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1cnc2ccccc2c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C27H30N2O2/c1-26(2)13-21-14-27(3,16-26)17-29(21)25(30)19-9-10-22(24(12-19)31-4)20-11-18-7-5-6-8-23(18)28-15-20/h5-12,15,21H,13-14,16-17H2,1-4H3/t21-,27-/m1/s1
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 5.79n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319770
PNG
((2-chloro-4-(4-(quinolin-8-yl)naphthalen-1-yl)phen...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(-c2cccc3cccnc23)c2ccccc12 |r|
Show InChI InChI=1S/C36H33ClN2O/c1-35(2)19-25-20-36(3,21-35)22-39(25)34(40)31-14-13-24(18-32(31)37)26-15-16-29(28-11-5-4-10-27(26)28)30-12-6-8-23-9-7-17-38-33(23)30/h4-18,25H,19-22H2,1-3H3/t25-,36-/m1/s1
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 7.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319766
PNG
((2',3,3'-trichloro-4'-(quinolin-8-yl)biphenyl-4-yl...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(c(Cl)c1Cl)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C32H29Cl3N2O/c1-31(2)15-21-16-32(3,17-31)18-37(21)30(38)25-10-9-20(14-26(25)33)22-11-12-23(28(35)27(22)34)24-8-4-6-19-7-5-13-36-29(19)24/h4-14,21H,15-18H2,1-3H3/t21-,32-/m1/s1
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 9.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319775
PNG
((3-chloro-2'-methylbiphenyl-4-yl)((1R,5S)-1,3,3-tr...)
Show SMILES Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClNO/c1-16-7-5-6-8-19(16)17-9-10-20(21(25)11-17)22(27)26-15-24(4)13-18(26)12-23(2,3)14-24/h5-11,18H,12-15H2,1-4H3/t18-,24-/m0/s1
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 11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319789
PNG
((2''-Methoxy-[1,1'3',1'']terphenyl-4''-yl)-((1S,5R...)
Show SMILES COc1cc(ccc1-c1cccc(c1)-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H33NO2/c1-29(2)17-25-18-30(3,19-29)20-31(25)28(32)24-13-14-26(27(16-24)33-4)23-12-8-11-22(15-23)21-9-6-5-7-10-21/h5-16,25H,17-20H2,1-4H3/t25-,30-/m1/s1
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 13.3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319797
PNG
((4-(benzo[b]thiophen-3-yl)-3-methoxyphenyl)((1S,5R...)
Show SMILES COc1cc(ccc1-c1csc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H29NO2S/c1-25(2)12-18-13-26(3,15-25)16-27(18)24(28)17-9-10-19(22(11-17)29-4)21-14-30-23-8-6-5-7-20(21)23/h5-11,14,18H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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 15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319801
PNG
((3-methoxy-4-(naphthalen-2-yl)phenyl)((1S,5R)-1,3,...)
Show SMILES COc1cc(ccc1-c1ccc2ccccc2c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C28H31NO2/c1-27(2)15-23-16-28(3,17-27)18-29(23)26(30)22-11-12-24(25(14-22)31-4)21-10-9-19-7-5-6-8-20(19)13-21/h5-14,23H,15-18H2,1-4H3/t23-,28-/m1/s1
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 17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319778
PNG
((2-methoxy-2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1ccccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO2/c1-17-8-6-7-9-20(17)21-11-10-18(12-22(21)28-5)23(27)26-16-25(4)14-19(26)13-24(2,3)15-25/h6-12,19H,13-16H2,1-5H3/t19-,25-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319813
PNG
((4-(4-(benzo[b]thiophen-3-yl)naphthalen-1-yl)-2-ch...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(-c2csc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C35H32ClNOS/c1-34(2)17-23-18-35(3,20-34)21-37(23)33(38)29-13-12-22(16-31(29)36)24-14-15-27(26-9-5-4-8-25(24)26)30-19-39-32-11-7-6-10-28(30)32/h4-16,19,23H,17-18,20-21H2,1-3H3/t23-,35-/m1/s1
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 21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319783
PNG
((2-methoxy-2'-phenoxybiphenyl-4-yl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1ccccc1Oc1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H33NO3/c1-29(2)17-22-18-30(3,19-29)20-31(22)28(32)21-14-15-25(27(16-21)33-4)24-12-8-9-13-26(24)34-23-10-6-5-7-11-23/h5-16,22H,17-20H2,1-4H3/t22-,30-/m1/s1
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 22.4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319805
PNG
((3-methoxy-4-(quinolin-5-yl)phenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1cccc2ncccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C27H30N2O2/c1-26(2)14-19-15-27(3,16-26)17-29(19)25(30)18-10-11-22(24(13-18)31-4)20-7-5-9-23-21(20)8-6-12-28-23/h5-13,19H,14-17H2,1-4H3/t19-,27-/m1/s1
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 23.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319781
PNG
((2-chloro-5-methoxy-2'-methylbiphenyl-4-yl)((1R,5S...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)-c1ccccc1C |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-8-6-7-9-18(16)19-11-22(29-5)20(10-21(19)26)23(28)27-15-25(4)13-17(27)12-24(2,3)14-25/h6-11,17H,12-15H2,1-5H3/t17-,25-/m0/s1
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 25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319788
PNG
(CHEMBL1084325 | N-(2'-methoxy-4'-((1S,5R)-1,3,3-tr...)
Show SMILES COc1cc(ccc1-c1cccc(NC(C)=O)c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H32N2O3/c1-17(29)27-20-8-6-7-18(11-20)22-10-9-19(12-23(22)31-5)24(30)28-16-26(4)14-21(28)13-25(2,3)15-26/h6-12,21H,13-16H2,1-5H3,(H,27,29)/t21-,26-/m1/s1
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 30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319766
PNG
((2',3,3'-trichloro-4'-(quinolin-8-yl)biphenyl-4-yl...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(c(Cl)c1Cl)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C32H29Cl3N2O/c1-31(2)15-21-16-32(3,17-31)18-37(21)30(38)25-10-9-20(14-26(25)33)22-11-12-23(28(35)27(22)34)24-8-4-6-19-7-5-13-36-29(19)24/h4-14,21H,15-18H2,1-3H3/t21-,32-/m1/s1
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 33.8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319777
PNG
((2,2'-dimethylbiphenyl-4-yl)((1R,5S)-1,3,3-trimeth...)
Show SMILES Cc1ccccc1-c1ccc(cc1C)C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO/c1-17-8-6-7-9-21(17)22-11-10-19(12-18(22)2)23(27)26-16-25(5)14-20(26)13-24(3,4)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m0/s1
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 36n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319812
PNG
((4-(benzo[b]thiophen-3-yl)-5-chloro-2-methoxypheny...)
Show SMILES COc1cc(-c2csc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H28ClNO2S/c1-25(2)11-16-12-26(3,14-25)15-28(16)24(29)19-9-21(27)18(10-22(19)30-4)20-13-31-23-8-6-5-7-17(20)23/h5-10,13,16H,11-12,14-15H2,1-4H3/t16-,26-/m1/s1
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 36.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319768
PNG
((2',3-dichloro-4'-(quinolin-8-yl)biphenyl-4-yl)((1...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(cc1Cl)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C32H30Cl2N2O/c1-31(2)16-23-17-32(3,18-31)19-36(23)30(37)26-12-10-21(14-28(26)34)24-11-9-22(15-27(24)33)25-8-4-6-20-7-5-13-35-29(20)25/h4-15,23H,16-19H2,1-3H3/t23-,32-/m1/s1
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 38.6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319798
PNG
((4-(dibenzo[b,d]furan-4-yl)-3-methoxyphenyl)((1S,5...)
Show SMILES COc1cc(ccc1-c1cccc2c3ccccc3oc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H31NO3/c1-29(2)15-20-16-30(3,17-29)18-31(20)28(32)19-12-13-22(26(14-19)33-4)24-10-7-9-23-21-8-5-6-11-25(21)34-27(23)24/h5-14,20H,15-18H2,1-4H3/t20-,30-/m1/s1
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 38.9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319817
PNG
((5-chloro-2-methoxy-4-(naphthalen-1-yl)phenyl)((1S...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C28H30ClNO2/c1-27(2)14-19-15-28(3,16-27)17-30(19)26(31)23-12-24(29)22(13-25(23)32-4)21-11-7-9-18-8-5-6-10-20(18)21/h5-13,19H,14-17H2,1-4H3/t19-,28-/m1/s1
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 39.2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319768
PNG
((2',3-dichloro-4'-(quinolin-8-yl)biphenyl-4-yl)((1...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(cc1Cl)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C32H30Cl2N2O/c1-31(2)16-23-17-32(3,18-31)19-36(23)30(37)26-12-10-21(14-28(26)34)24-11-9-22(15-27(24)33)25-8-4-6-20-7-5-13-35-29(20)25/h4-15,23H,16-19H2,1-3H3/t23-,32-/m1/s1
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 40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319809
PNG
((4-(benzo[b]thiophen-3-yl)-2,3-dichlorophenyl)((1S...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(-c2csc3ccccc23)c(Cl)c1Cl |r|
Show InChI InChI=1S/C25H25Cl2NOS/c1-24(2)10-15-11-25(3,13-24)14-28(15)23(29)18-9-8-17(21(26)22(18)27)19-12-30-20-7-5-4-6-16(19)20/h4-9,12,15H,10-11,13-14H2,1-3H3/t15-,25-/m1/s1
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 40.6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319769
PNG
((3,5'-dichloro-2'-methoxy-4'-(quinolin-8-yl)biphen...)
Show SMILES COc1cc(c(Cl)cc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C33H32Cl2N2O2/c1-32(2)16-22-17-33(3,18-32)19-37(22)31(38)24-11-10-21(13-27(24)34)25-14-28(35)26(15-29(25)39-4)23-9-5-7-20-8-6-12-36-30(20)23/h5-15,22H,16-19H2,1-4H3/t22-,33-/m1/s1
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 43.4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319779
PNG
((2-methoxy-2'-methylbiphenyl-4-yl)((1R,5S)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1ccccc1C)C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO2/c1-17-8-6-7-9-20(17)21-11-10-18(12-22(21)28-5)23(27)26-16-25(4)14-19(26)13-24(2,3)15-25/h6-12,19H,13-16H2,1-5H3/t19-,25-/m0/s1
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 46n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319769
PNG
((3,5'-dichloro-2'-methoxy-4'-(quinolin-8-yl)biphen...)
Show SMILES COc1cc(c(Cl)cc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C33H32Cl2N2O2/c1-32(2)16-22-17-33(3,18-32)19-37(22)31(38)24-11-10-21(13-27(24)34)25-14-28(35)26(15-29(25)39-4)23-9-5-7-20-8-6-12-36-30(20)23/h5-15,22H,16-19H2,1-4H3/t22-,33-/m1/s1
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 49.7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319807
PNG
((3-methoxy-4-styrylphenyl)((1S,5R)-1,3,3-trimethyl...)
Show SMILES COc1cc(ccc1\C=C\c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H31NO2/c1-25(2)15-22-16-26(3,17-25)18-27(22)24(28)21-13-12-20(23(14-21)29-4)11-10-19-8-6-5-7-9-19/h5-14,22H,15-18H2,1-4H3/b11-10+/t22-,26-/m1/s1
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 51.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319811
PNG
((4-(benzo[b]thiophen-3-yl)-2-chlorophenyl)((1S,5R)...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1csc2ccccc12 |r|
Show InChI InChI=1S/C25H26ClNOS/c1-24(2)11-17-12-25(3,14-24)15-27(17)23(28)19-9-8-16(10-21(19)26)20-13-29-22-7-5-4-6-18(20)22/h4-10,13,17H,11-12,14-15H2,1-3H3/t17-,25-/m1/s1
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 52n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319774
PNG
((3-chloro-2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-tr...)
Show SMILES Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClNO/c1-16-7-5-6-8-19(16)17-9-10-20(21(25)11-17)22(27)26-15-24(4)13-18(26)12-23(2,3)14-24/h5-11,18H,12-15H2,1-4H3/t18-,24-/m1/s1
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 54n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319793
PNG
((2-methoxy-4'-phenoxybiphenyl-4-yl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1ccc(Oc2ccccc2)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H33NO3/c1-29(2)17-23-18-30(3,19-29)20-31(23)28(32)22-12-15-26(27(16-22)33-4)21-10-13-25(14-11-21)34-24-8-6-5-7-9-24/h5-16,23H,17-20H2,1-4H3/t23-,30-/m1/s1
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 58.9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319814
PNG
((2,3-dichloro-4-(naphthalen-1-yl)phenyl)((1S,5R)-1...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(c(Cl)c1Cl)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H27Cl2NO/c1-26(2)13-18-14-27(3,15-26)16-30(18)25(31)22-12-11-21(23(28)24(22)29)20-10-6-8-17-7-4-5-9-19(17)20/h4-12,18H,13-16H2,1-3H3/t18-,27-/m1/s1
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 60.6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319767
PNG
((2',3,5'-trichloro-4'-(quinolin-8-yl)biphenyl-4-yl...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1cc(Cl)c(cc1Cl)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C32H29Cl3N2O/c1-31(2)15-21-16-32(3,17-31)18-37(21)30(38)23-10-9-20(12-26(23)33)24-13-28(35)25(14-27(24)34)22-8-4-6-19-7-5-11-36-29(19)22/h4-14,21H,15-18H2,1-3H3/t21-,32-/m1/s1
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 62.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319800
PNG
((3-methoxy-4-(naphthalen-1-yl)phenyl)((1S,5R)-1,3,...)
Show SMILES COc1cc(ccc1-c1cccc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C28H31NO2/c1-27(2)15-21-16-28(3,17-27)18-29(21)26(30)20-12-13-24(25(14-20)31-4)23-11-7-9-19-8-5-6-10-22(19)23/h5-14,21H,15-18H2,1-4H3/t21-,28-/m1/s1
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 63n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319773
PNG
((2'-methylbiphenyl-4-yl)((1R,5S)-1,3,3-trimethyl-6...)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C24H29NO/c1-17-7-5-6-8-21(17)18-9-11-19(12-10-18)22(26)25-16-24(4)14-20(25)13-23(2,3)15-24/h5-12,20H,13-16H2,1-4H3/t20-,24-/m0/s1
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 65n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319767
PNG
((2',3,5'-trichloro-4'-(quinolin-8-yl)biphenyl-4-yl...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1cc(Cl)c(cc1Cl)-c1cccc2cccnc12 |r|
Show InChI InChI=1S/C32H29Cl3N2O/c1-31(2)15-21-16-32(3,17-31)18-37(21)30(38)23-10-9-20(12-26(23)33)24-13-28(35)25(14-27(24)34)22-8-4-6-19-7-5-11-36-29(19)22/h4-14,21H,15-18H2,1-3H3/t21-,32-/m1/s1
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 82n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319778
PNG
((2-methoxy-2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1ccccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO2/c1-17-8-6-7-9-20(17)21-11-10-18(12-22(21)28-5)23(27)26-16-25(4)14-19(26)13-24(2,3)15-25/h6-12,19H,13-16H2,1-5H3/t19-,25-/m1/s1
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 82n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319812
PNG
((4-(benzo[b]thiophen-3-yl)-5-chloro-2-methoxypheny...)
Show SMILES COc1cc(-c2csc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H28ClNO2S/c1-25(2)11-16-12-26(3,14-25)15-28(16)24(29)19-9-21(27)18(10-22(19)30-4)20-13-31-23-8-6-5-7-17(20)23/h5-10,13,16H,11-12,14-15H2,1-4H3/t16-,26-/m1/s1
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 86.6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319808
PNG
((3-methoxy-4-(5-phenylthiophen-2-yl)phenyl)((1S,5R...)
Show SMILES COc1cc(ccc1-c1ccc(s1)-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C28H31NO2S/c1-27(2)15-21-16-28(3,17-27)18-29(21)26(30)20-10-11-22(23(14-20)31-4)25-13-12-24(32-25)19-8-6-5-7-9-19/h5-14,21H,15-18H2,1-4H3/t21-,28-/m1/s1
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 92.2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319765
PNG
(CHEMBL1084456 | N-(3-(4-(3-chloro-4-((1S,5R)-1,3,3...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C35H35ClN2O2/c1-22(39)37-25-9-7-8-23(16-25)27-14-15-28(30-11-6-5-10-29(27)30)24-12-13-31(32(36)17-24)33(40)38-21-35(4)19-26(38)18-34(2,3)20-35/h5-17,26H,18-21H2,1-4H3,(H,37,39)/t26-,35-/m1/s1
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 94.4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319814
PNG
((2,3-dichloro-4-(naphthalen-1-yl)phenyl)((1S,5R)-1...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(c(Cl)c1Cl)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H27Cl2NO/c1-26(2)13-18-14-27(3,15-26)16-30(18)25(31)22-12-11-21(23(28)24(22)29)20-10-6-8-17-7-4-5-9-19(17)20/h4-12,18H,13-16H2,1-3H3/t18-,27-/m1/s1
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 94.6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319816
PNG
((2-chloro-4-(naphthalen-1-yl)phenyl)((1S,5R)-1,3,3...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H28ClNO/c1-26(2)14-20-15-27(3,16-26)17-29(20)25(30)23-12-11-19(13-24(23)28)22-10-6-8-18-7-4-5-9-21(18)22/h4-13,20H,14-17H2,1-3H3/t20-,27-/m1/s1
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 95.4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319802
PNG
((3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl)((1S...)
Show SMILES COc1ccc2cc(ccc2c1)-c1ccc(cc1OC)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C29H33NO3/c1-28(2)15-23-16-29(3,17-28)18-30(23)27(31)22-9-11-25(26(14-22)33-5)21-7-6-20-13-24(32-4)10-8-19(20)12-21/h6-14,23H,15-18H2,1-5H3/t23-,29-/m1/s1
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 105n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319780
PNG
((2-chloro-5-methoxy-2'-methylbiphenyl-4-yl)((1S,5R...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1ccccc1C |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-8-6-7-9-18(16)19-11-22(29-5)20(10-21(19)26)23(28)27-15-25(4)13-17(27)12-24(2,3)14-25/h6-11,17H,12-15H2,1-5H3/t17-,25-/m1/s1
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 107n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319813
PNG
((4-(4-(benzo[b]thiophen-3-yl)naphthalen-1-yl)-2-ch...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(-c2csc3ccccc23)c2ccccc12 |r|
Show InChI InChI=1S/C35H32ClNOS/c1-34(2)17-23-18-35(3,20-34)21-37(23)33(38)29-13-12-22(16-31(29)36)24-14-15-27(26-9-5-4-8-25(24)26)30-19-39-32-11-7-6-10-28(30)32/h4-16,19,23H,17-18,20-21H2,1-3H3/t23-,35-/m1/s1
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 111n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319763
PNG
(CHEMBL1084455 | N-(3'-chloro-4'-((1S,5R)-1,3,3-tri...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 |r|
Show InChI InChI=1S/C25H29ClN2O2/c1-16(29)27-19-7-5-6-17(10-19)18-8-9-21(22(26)11-18)23(30)28-15-25(4)13-20(28)12-24(2,3)14-25/h5-11,20H,12-15H2,1-4H3,(H,27,29)/t20-,25-/m1/s1
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 116n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319809
PNG
((4-(benzo[b]thiophen-3-yl)-2,3-dichlorophenyl)((1S...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(-c2csc3ccccc23)c(Cl)c1Cl |r|
Show InChI InChI=1S/C25H25Cl2NOS/c1-24(2)10-15-11-25(3,13-24)14-28(15)23(29)18-9-8-17(21(26)22(18)27)19-12-30-20-7-5-4-6-16(19)20/h4-9,12,15H,10-11,13-14H2,1-3H3/t15-,25-/m1/s1
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 124n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319806
PNG
((3-methoxy-4-(quinolin-8-yl)phenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1cccc2cccnc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C27H30N2O2/c1-26(2)14-20-15-27(3,16-26)17-29(20)25(30)19-10-11-21(23(13-19)31-4)22-9-5-7-18-8-6-12-28-24(18)22/h5-13,20H,14-17H2,1-4H3/t20-,27-/m1/s1
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 130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319815
PNG
((2,5-dichloro-4-(naphthalen-1-yl)phenyl)((1S,5R)-1...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(cc1Cl)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H27Cl2NO/c1-26(2)13-18-14-27(3,15-26)16-30(18)25(31)22-12-23(28)21(11-24(22)29)20-10-6-8-17-7-4-5-9-19(17)20/h4-12,18H,13-16H2,1-3H3/t18-,27-/m1/s1
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 133n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319817
PNG
((5-chloro-2-methoxy-4-(naphthalen-1-yl)phenyl)((1S...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C28H30ClNO2/c1-27(2)14-19-15-28(3,16-27)17-30(19)26(31)23-12-24(29)22(13-25(23)32-4)21-11-7-9-18-8-5-6-10-20(18)21/h5-13,19H,14-17H2,1-4H3/t19-,28-/m1/s1
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 150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319811
PNG
((4-(benzo[b]thiophen-3-yl)-2-chlorophenyl)((1S,5R)...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1csc2ccccc12 |r|
Show InChI InChI=1S/C25H26ClNOS/c1-24(2)11-17-12-25(3,14-24)15-27(17)23(28)19-9-8-16(10-21(19)26)20-13-29-22-7-5-4-6-18(20)22/h4-10,13,17H,11-12,14-15H2,1-3H3/t17-,25-/m1/s1
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 171n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319816
PNG
((2-chloro-4-(naphthalen-1-yl)phenyl)((1S,5R)-1,3,3...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H28ClNO/c1-26(2)14-20-15-27(3,16-26)17-29(20)25(30)23-12-11-19(13-24(23)28)22-10-6-8-18-7-4-5-9-21(18)22/h4-13,20H,14-17H2,1-3H3/t20-,27-/m1/s1
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 176n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319764
PNG
(CHEMBL1084362 | N-(2'-chloro-5'-methoxy-4'-((1S,5R...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1cccc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C26H31ClN2O3/c1-16(30)28-18-8-6-7-17(9-18)20-11-23(32-5)21(10-22(20)27)24(31)29-15-26(4)13-19(29)12-25(2,3)14-26/h6-11,19H,12-15H2,1-5H3,(H,28,30)/t19-,26-/m1/s1
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 178n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319761
PNG
(CHEMBL1084085 | N-(2',3'-dichloro-4'-((1S,5R)-1,3,...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1Cl |r|
Show InChI InChI=1S/C25H28Cl2N2O2/c1-15(30)28-17-7-5-6-16(10-17)19-8-9-20(22(27)21(19)26)23(31)29-14-25(4)12-18(29)11-24(2,3)13-25/h5-10,18H,11-14H2,1-4H3,(H,28,30)/t18-,25-/m1/s1
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 187n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319784
PNG
((2''-Methoxy-[1,1',2',1'']terphenyl-4''-yl)-((1S,5...)
Show SMILES COc1cc(ccc1-c1ccccc1-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H33NO2/c1-29(2)17-23-18-30(3,19-29)20-31(23)28(32)22-14-15-26(27(16-22)33-4)25-13-9-8-12-24(25)21-10-6-5-7-11-21/h5-16,23H,17-20H2,1-4H3/t23-,30-/m1/s1
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 189n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319772
PNG
((2'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-trimethyl-6...)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C24H29NO/c1-17-7-5-6-8-21(17)18-9-11-19(12-10-18)22(26)25-16-24(4)14-20(25)13-23(2,3)15-24/h5-12,20H,13-16H2,1-4H3/t20-,24-/m1/s1
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 204n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319810
PNG
((4-(benzo[b]thiophen-3-yl)-2,5-dichlorophenyl)((1S...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(cc1Cl)-c1csc2ccccc12 |r|
Show InChI InChI=1S/C25H25Cl2NOS/c1-24(2)10-15-11-25(3,13-24)14-28(15)23(29)18-9-20(26)17(8-21(18)27)19-12-30-22-7-5-4-6-16(19)22/h4-9,12,15H,10-11,13-14H2,1-3H3/t15-,25-/m1/s1
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 233n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319791
PNG
((4'-chloro-2-methoxy-2'-methylbiphenyl-4-yl)((1S,5...)
Show SMILES COc1cc(ccc1-c1ccc(Cl)cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-10-18(26)7-9-20(16)21-8-6-17(11-22(21)29-5)23(28)27-15-25(4)13-19(27)12-24(2,3)14-25/h6-11,19H,12-15H2,1-5H3/t19-,25-/m1/s1
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 291n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319810
PNG
((4-(benzo[b]thiophen-3-yl)-2,5-dichlorophenyl)((1S...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(cc1Cl)-c1csc2ccccc12 |r|
Show InChI InChI=1S/C25H25Cl2NOS/c1-24(2)10-15-11-25(3,13-24)14-28(15)23(29)18-9-20(26)17(8-21(18)27)19-12-30-22-7-5-4-6-16(19)22/h4-9,12,15H,10-11,13-14H2,1-3H3/t15-,25-/m1/s1
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 315n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319770
PNG
((2-chloro-4-(4-(quinolin-8-yl)naphthalen-1-yl)phen...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(-c2cccc3cccnc23)c2ccccc12 |r|
Show InChI InChI=1S/C36H33ClN2O/c1-35(2)19-25-20-36(3,21-35)22-39(25)34(40)31-14-13-24(18-32(31)37)26-15-16-29(28-11-5-4-10-27(26)28)30-12-6-8-23-9-7-17-38-33(23)30/h4-18,25H,19-22H2,1-3H3/t25-,36-/m1/s1
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 420n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319815
PNG
((2,5-dichloro-4-(naphthalen-1-yl)phenyl)((1S,5R)-1...)
Show SMILES C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(cc1Cl)-c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H27Cl2NO/c1-26(2)13-18-14-27(3,15-26)16-30(18)25(31)22-12-23(28)21(11-24(22)29)20-10-6-8-17-7-4-5-9-19(17)20/h4-12,18H,13-16H2,1-3H3/t18-,27-/m1/s1
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 443n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319776
PNG
((2,2'-dimethylbiphenyl-4-yl)((1S,5R)-1,3,3-trimeth...)
Show SMILES Cc1ccccc1-c1ccc(cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO/c1-17-8-6-7-9-21(17)22-11-10-19(12-18(22)2)23(27)26-16-25(5)14-20(26)13-24(3,4)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1
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 478n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319792
PNG
((2-methoxy-4'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1ccc(C)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO2/c1-17-6-8-18(9-7-17)21-11-10-19(12-22(21)28-5)23(27)26-16-25(4)14-20(26)13-24(2,3)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1
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 556n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319799
PNG
((4-(1H-indol-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1c[nH]c2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H30N2O2/c1-25(2)12-18-13-26(3,15-25)16-28(18)24(29)17-9-10-20(23(11-17)30-4)21-14-27-22-8-6-5-7-19(21)22/h5-11,14,18,27H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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 600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319794
PNG
((4-(benzofuran-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,...)
Show SMILES COc1cc(ccc1-c1coc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H29NO3/c1-25(2)12-18-13-26(3,15-25)16-27(18)24(28)17-9-10-20(23(11-17)29-4)21-14-30-22-8-6-5-7-19(21)22/h5-11,14,18H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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 675n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319786
PNG
((2-methoxy-3'-methylbiphenyl-4-yl)((1S,5R)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1cccc(C)c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO2/c1-17-7-6-8-18(11-17)21-10-9-19(12-22(21)28-5)23(27)26-16-25(4)14-20(26)13-24(2,3)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m1/s1
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 713n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319805
PNG
((3-methoxy-4-(quinolin-5-yl)phenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1cccc2ncccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C27H30N2O2/c1-26(2)14-19-15-27(3,16-26)17-29(19)25(30)18-10-11-22(24(13-18)31-4)20-7-5-9-23-21(20)8-6-12-28-23/h5-13,19H,14-17H2,1-4H3/t19-,27-/m1/s1
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 770n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319783
PNG
((2-methoxy-2'-phenoxybiphenyl-4-yl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1ccccc1Oc1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H33NO3/c1-29(2)17-22-18-30(3,19-29)20-31(22)28(32)21-14-15-25(27(16-21)33-4)24-12-8-9-13-26(24)34-23-10-6-5-7-11-23/h5-16,22H,17-20H2,1-4H3/t22-,30-/m1/s1
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 846n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319775
PNG
((3-chloro-2'-methylbiphenyl-4-yl)((1R,5S)-1,3,3-tr...)
Show SMILES Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClNO/c1-16-7-5-6-8-19(16)17-9-10-20(21(25)11-17)22(27)26-15-24(4)13-18(26)12-23(2,3)14-24/h5-11,18H,12-15H2,1-4H3/t18-,24-/m0/s1
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 1.03E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319777
PNG
((2,2'-dimethylbiphenyl-4-yl)((1R,5S)-1,3,3-trimeth...)
Show SMILES Cc1ccccc1-c1ccc(cc1C)C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H31NO/c1-17-8-6-7-9-21(17)22-11-10-19(12-18(22)2)23(27)26-16-25(5)14-20(26)13-24(3,4)15-25/h6-12,20H,13-16H2,1-5H3/t20-,25-/m0/s1
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 1.06E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319787
PNG
(2'-methoxy-N-methyl-4'-((1S,5R)-1,3,3-trimethyl-6-...)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1OC)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H32N2O3/c1-25(2)13-20-14-26(3,15-25)16-28(20)24(30)19-9-10-21(22(12-19)31-5)17-7-6-8-18(11-17)23(29)27-4/h6-12,20H,13-16H2,1-5H3,(H,27,29)/t20-,26-/m1/s1
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 1.17E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319781
PNG
((2-chloro-5-methoxy-2'-methylbiphenyl-4-yl)((1R,5S...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)-c1ccccc1C |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-8-6-7-9-18(16)19-11-22(29-5)20(10-21(19)26)23(28)27-15-25(4)13-17(27)12-24(2,3)14-25/h6-11,17H,12-15H2,1-5H3/t17-,25-/m0/s1
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 1.21E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319790
PNG
((4'-chloro-2-methoxybiphenyl-4-yl)((1S,5R)-1,3,3-t...)
Show SMILES COc1cc(ccc1-c1ccc(Cl)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C24H28ClNO2/c1-23(2)12-19-13-24(3,14-23)15-26(19)22(27)17-7-10-20(21(11-17)28-4)16-5-8-18(25)9-6-16/h5-11,19H,12-15H2,1-4H3/t19-,24-/m1/s1
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 1.81E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319804
PNG
((3-methoxy-4-(quinolin-3-yl)phenyl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1cnc2ccccc2c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C27H30N2O2/c1-26(2)13-21-14-27(3,16-26)17-29(21)25(30)19-9-10-22(24(12-19)31-4)20-11-18-7-5-6-8-23(18)28-15-20/h5-12,15,21H,13-14,16-17H2,1-4H3/t21-,27-/m1/s1
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 1.89E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319802
PNG
((3-methoxy-4-(6-methoxynaphthalen-2-yl)phenyl)((1S...)
Show SMILES COc1ccc2cc(ccc2c1)-c1ccc(cc1OC)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C29H33NO3/c1-28(2)15-23-16-29(3,17-28)18-30(23)27(31)22-9-11-25(26(14-22)33-5)21-7-6-20-13-24(32-4)10-8-19(20)12-21/h6-14,23H,15-18H2,1-5H3/t23-,29-/m1/s1
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 2.09E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319801
PNG
((3-methoxy-4-(naphthalen-2-yl)phenyl)((1S,5R)-1,3,...)
Show SMILES COc1cc(ccc1-c1ccc2ccccc2c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C28H31NO2/c1-27(2)15-23-16-28(3,17-27)18-29(23)26(30)22-11-12-24(25(14-22)31-4)21-10-9-19-7-5-6-8-20(19)13-21/h5-14,23H,15-18H2,1-4H3/t23-,28-/m1/s1
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 2.38E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319803
PNG
((4-(2-chloro-1,2-pyridin-3-yl)-3-methoxyphenyl)((1...)
Show SMILES COc1cc(ccc1-c1cccnc1Cl)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C23H27ClN2O2/c1-22(2)11-16-12-23(3,13-22)14-26(16)21(27)15-7-8-17(19(10-15)28-4)18-6-5-9-25-20(18)24/h5-10,16H,11-14H2,1-4H3/t16-,23-/m1/s1
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 2.47E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319789
PNG
((2''-Methoxy-[1,1'3',1'']terphenyl-4''-yl)-((1S,5R...)
Show SMILES COc1cc(ccc1-c1cccc(c1)-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H33NO2/c1-29(2)17-25-18-30(3,19-29)20-31(25)28(32)24-13-14-26(27(16-24)33-4)23-12-8-11-22(15-23)21-9-6-5-7-10-21/h5-16,25H,17-20H2,1-4H3/t25-,30-/m1/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319808
PNG
((3-methoxy-4-(5-phenylthiophen-2-yl)phenyl)((1S,5R...)
Show SMILES COc1cc(ccc1-c1ccc(s1)-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C28H31NO2S/c1-27(2)15-21-16-28(3,17-27)18-29(21)26(30)20-10-11-22(23(14-20)31-4)25-13-12-24(32-25)19-8-6-5-7-9-19/h5-14,21H,15-18H2,1-4H3/t21-,28-/m1/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319785
PNG
((5'-chloro-2-methoxy-2'-methylbiphenyl-4-yl)((1S,5...)
Show SMILES COc1cc(ccc1-c1cc(Cl)ccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H30ClNO2/c1-16-6-8-18(26)11-21(16)20-9-7-17(10-22(20)29-5)23(28)27-15-25(4)13-19(27)12-24(2,3)14-25/h6-11,19H,12-15H2,1-5H3/t19-,25-/m1/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319782
PNG
((2-methoxy-2',6'-dimethylbiphenyl-4-yl)((1S,5R)-1,...)
Show SMILES COc1cc(ccc1-c1c(C)cccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r,wU:23.24,20.22,(7.58,-29.96,;8.94,-30.72,;10.28,-29.93,;10.27,-28.4,;11.6,-27.62,;12.94,-28.38,;12.94,-29.92,;11.61,-30.69,;11.62,-32.23,;10.29,-33,;8.96,-32.23,;10.29,-34.55,;11.62,-35.32,;12.96,-34.54,;12.95,-32.99,;14.29,-32.21,;11.59,-26.08,;10.26,-25.31,;12.92,-25.3,;13.87,-26.51,;15.41,-26.52,;16.03,-27.93,;14.61,-24.55,;13.28,-23.79,;14.67,-23.14,;16.05,-23.83,;16.45,-22.33,;17.54,-23.42,;16.39,-25.33,)|
Show InChI InChI=1S/C26H33NO2/c1-17-8-7-9-18(2)23(17)21-11-10-19(12-22(21)29-6)24(28)27-16-26(5)14-20(27)13-25(3,4)15-26/h7-12,20H,13-16H2,1-6H3/t20-,26-/m1/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319795
PNG
((3-methoxy-4-(2-phenylbenzofuran-3-yl)phenyl)((1S,...)
Show SMILES COc1cc(ccc1-c1c(oc2ccccc12)-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r,wU:30.33,27.31,(-5.1,.21,;-4.01,-.88,;-2.5,-.56,;-2.03,.89,;-.53,1.21,;.49,.08,;.01,-1.38,;-1.48,-1.69,;-1.96,-3.15,;-1.05,-4.39,;-1.95,-5.65,;-3.43,-5.17,;-4.76,-5.95,;-6.1,-5.18,;-6.1,-3.63,;-4.77,-2.86,;-3.43,-3.63,;.49,-4.39,;1.26,-5.73,;2.8,-5.73,;3.57,-4.39,;2.79,-3.05,;1.25,-3.06,;-.06,2.68,;-1.15,3.77,;1.45,3,;2.39,1.79,;3.93,1.78,;4.57,.39,;3.12,3.74,;1.81,4.49,;3.19,5.14,;4.56,4.45,;4.92,5.95,;6.1,4.45,;4.9,2.97,)|
Show InChI InChI=1S/C32H33NO3/c1-31(2)17-23-18-32(3,19-31)20-33(23)30(34)22-14-15-25(27(16-22)35-4)28-24-12-8-9-13-26(24)36-29(28)21-10-6-5-7-11-21/h5-16,23H,17-20H2,1-4H3/t23-,32-/m1/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319807
PNG
((3-methoxy-4-styrylphenyl)((1S,5R)-1,3,3-trimethyl...)
Show SMILES COc1cc(ccc1\C=C\c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H31NO2/c1-25(2)15-22-16-26(3,17-25)18-27(22)24(28)21-13-12-20(23(14-21)29-4)11-10-19-8-6-5-7-9-19/h5-14,22H,15-18H2,1-4H3/b11-10+/t22-,26-/m1/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319798
PNG
((4-(dibenzo[b,d]furan-4-yl)-3-methoxyphenyl)((1S,5...)
Show SMILES COc1cc(ccc1-c1cccc2c3ccccc3oc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H31NO3/c1-29(2)15-20-16-30(3,17-29)18-31(20)28(32)19-12-13-22(26(14-19)33-4)24-10-7-9-23-21-8-5-6-11-25(21)34-27(23)24/h5-14,20H,15-18H2,1-4H3/t20-,30-/m1/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319796
PNG
((4-(benzo[b]thiophen-2-yl)-3-methoxyphenyl)((1S,5R...)
Show SMILES COc1cc(ccc1-c1cc2ccccc2s1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H29NO2S/c1-25(2)13-19-14-26(3,15-25)16-27(19)24(28)18-9-10-20(21(11-18)29-4)23-12-17-7-5-6-8-22(17)30-23/h5-12,19H,13-16H2,1-4H3/t19-,26-/m1/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319793
PNG
((2-methoxy-4'-phenoxybiphenyl-4-yl)((1S,5R)-1,3,3-...)
Show SMILES COc1cc(ccc1-c1ccc(Oc2ccccc2)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C30H33NO3/c1-29(2)17-23-18-30(3,19-29)20-31(23)28(32)22-12-15-26(27(16-22)33-4)21-10-13-25(14-11-21)34-24-8-6-5-7-9-24/h5-16,23H,17-20H2,1-4H3/t23-,30-/m1/s1
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>2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319763
PNG
(CHEMBL1084455 | N-(3'-chloro-4'-((1S,5R)-1,3,3-tri...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 |r|
Show InChI InChI=1S/C25H29ClN2O2/c1-16(29)27-19-7-5-6-17(10-19)18-8-9-21(22(26)11-18)23(30)28-15-25(4)13-20(28)12-24(2,3)14-25/h5-11,20H,12-15H2,1-4H3,(H,27,29)/t20-,25-/m1/s1
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>2.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319762
PNG
(CHEMBL1084086 | N-(2',5'-dichloro-4'-((1S,5R)-1,3,...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cc(Cl)c(cc1Cl)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H28Cl2N2O2/c1-15(30)28-17-7-5-6-16(8-17)19-9-22(27)20(10-21(19)26)23(31)29-14-25(4)12-18(29)11-24(2,3)13-25/h5-10,18H,11-14H2,1-4H3,(H,28,30)/t18-,25-/m1/s1
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>2.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319764
PNG
(CHEMBL1084362 | N-(2'-chloro-5'-methoxy-4'-((1S,5R...)
Show SMILES COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1cccc(NC(C)=O)c1 |r|
Show InChI InChI=1S/C26H31ClN2O3/c1-16(30)28-18-8-6-7-17(9-18)20-11-23(32-5)21(10-22(20)27)24(31)29-15-26(4)13-19(29)12-25(2,3)14-26/h6-11,19H,12-15H2,1-5H3,(H,28,30)/t19-,26-/m1/s1
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>2.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319765
PNG
(CHEMBL1084456 | N-(3-(4-(3-chloro-4-((1S,5R)-1,3,3...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C35H35ClN2O2/c1-22(39)37-25-9-7-8-23(16-25)27-14-15-28(30-11-6-5-10-29(27)30)24-12-13-31(32(36)17-24)33(40)38-21-35(4)19-26(38)18-34(2,3)20-35/h5-17,26H,18-21H2,1-4H3,(H,37,39)/t26-,35-/m1/s1
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>2.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319761
PNG
(CHEMBL1084085 | N-(2',3'-dichloro-4'-((1S,5R)-1,3,...)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1Cl |r|
Show InChI InChI=1S/C25H28Cl2N2O2/c1-15(30)28-17-7-5-6-16(10-17)19-8-9-20(22(27)21(19)26)23(31)29-14-25(4)12-18(29)11-24(2,3)13-25/h5-10,18H,11-14H2,1-4H3,(H,28,30)/t18-,25-/m1/s1
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>2.55E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319773
PNG
((2'-methylbiphenyl-4-yl)((1R,5S)-1,3,3-trimethyl-6...)
Show SMILES Cc1ccccc1-c1ccc(cc1)C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C24H29NO/c1-17-7-5-6-8-21(17)18-9-11-19(12-10-18)22(26)25-16-24(4)14-20(25)13-23(2,3)15-24/h5-12,20H,13-16H2,1-4H3/t20-,24-/m0/s1
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 3.35E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V2 receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319795
PNG
((3-methoxy-4-(2-phenylbenzofuran-3-yl)phenyl)((1S,...)
Show SMILES COc1cc(ccc1-c1c(oc2ccccc12)-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r,wU:30.33,27.31,(-5.1,.21,;-4.01,-.88,;-2.5,-.56,;-2.03,.89,;-.53,1.21,;.49,.08,;.01,-1.38,;-1.48,-1.69,;-1.96,-3.15,;-1.05,-4.39,;-1.95,-5.65,;-3.43,-5.17,;-4.76,-5.95,;-6.1,-5.18,;-6.1,-3.63,;-4.77,-2.86,;-3.43,-3.63,;.49,-4.39,;1.26,-5.73,;2.8,-5.73,;3.57,-4.39,;2.79,-3.05,;1.25,-3.06,;-.06,2.68,;-1.15,3.77,;1.45,3,;2.39,1.79,;3.93,1.78,;4.57,.39,;3.12,3.74,;1.81,4.49,;3.19,5.14,;4.56,4.45,;4.92,5.95,;6.1,4.45,;4.9,2.97,)|
Show InChI InChI=1S/C32H33NO3/c1-31(2)17-23-18-32(3,19-31)20-33(23)30(34)22-14-15-25(27(16-22)35-4)28-24-12-8-9-13-26(24)36-29(28)21-10-6-5-7-11-21/h5-16,23H,17-20H2,1-4H3/t23-,32-/m1/s1
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 5.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319762
PNG
(CHEMBL1084086 | N-(2',5'-dichloro-4'-((1S,5R)-1,3,...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cc(Cl)c(cc1Cl)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C25H28Cl2N2O2/c1-15(30)28-17-7-5-6-16(8-17)19-9-22(27)20(10-21(19)26)23(31)29-14-25(4)12-18(29)11-24(2,3)13-25/h5-10,18H,11-14H2,1-4H3,(H,28,30)/t18-,25-/m1/s1
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 5.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement [3H]Arg human recombinant Vasopressin V1a receptor

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human Vasopressin V1a receptor assessed as inhibition of intracellular calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human Vasopressin 2 receptor assessed as inhibition of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50319797
PNG
((4-(benzo[b]thiophen-3-yl)-3-methoxyphenyl)((1S,5R...)
Show SMILES COc1cc(ccc1-c1csc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H29NO2S/c1-25(2)12-18-13-26(3,15-25)16-27(18)24(28)17-9-10-19(22(11-17)29-4)21-14-30-23-8-6-5-7-20(21)23/h5-11,14,18H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human Vasopressin V1a receptor assessed as inhibition of intracellular calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50319797
PNG
((4-(benzo[b]thiophen-3-yl)-3-methoxyphenyl)((1S,5R...)
Show SMILES COc1cc(ccc1-c1csc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Show InChI InChI=1S/C26H29NO2S/c1-25(2)12-18-13-26(3,15-25)16-27(18)24(28)17-9-10-19(22(11-17)29-4)21-14-30-23-8-6-5-7-20(21)23/h5-11,14,18H,12-13,15-16H2,1-4H3/t18-,26-/m1/s1
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n/an/a 838n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human Vasopressin 2 receptor assessed as inhibition of intracellular cAMP accumulation

Bioorg Med Chem Lett 20: 3742-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%