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Compile Data Set for Download or QSAR

Found 117 hits Enz. Inhib. hit(s) with all data for entry = 50031814   
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
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
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
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
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 (V2)


(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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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 (V2)


(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
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
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
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 (V2)


(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
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
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
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 (V2)


(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
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
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
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
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 (V2)


(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
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
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
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 (V2)


(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
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
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
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 (V2)


(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
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 (V2)


(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
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
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 (V2)


(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
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
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
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
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
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 (V2)


(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
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
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
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