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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50031509   
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
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314514
PNG
(5-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-(6-met...)
Show SMILES COCCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1
Show InChI InChI=1S/C22H24N4O3/c1-15-6-5-7-18(16(15)2)19-13-24-20(14-23-19)22(27)26(10-11-28-3)17-8-9-21(29-4)25-12-17/h5-9,12-14H,10-11H2,1-4H3
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314513
PNG
(5-(2,3-dimethylphenyl)-N-isopropyl-N-(6-methoxypyr...)
Show SMILES COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1cccc(C)c1C
Show InChI InChI=1S/C22H24N4O2/c1-14(2)26(17-9-10-21(28-5)25-11-17)22(27)20-13-23-19(12-24-20)18-8-6-7-15(3)16(18)4/h6-14H,1-5H3
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314512
PNG
(5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxypyridin...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1
Show InChI InChI=1S/C21H22N4O2/c1-5-25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-7-14(2)15(17)3/h6-13H,5H2,1-4H3
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314511
PNG
(CHEMBL1092458 | N-ethyl-5-(3-fluoro-2-methylphenyl...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1cccc(F)c1C)c1ccc(OC)nc1
Show InChI InChI=1S/C20H19FN4O2/c1-4-25(14-8-9-19(27-3)24-10-14)20(26)18-12-22-17(11-23-18)15-6-5-7-16(21)13(15)2/h5-12H,4H2,1-3H3
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29n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314515
PNG
(CHEMBL1093776 | N-ethyl-N-(6-methoxypyridin-3-yl)-...)
Show SMILES CCN(C(=O)c1cc(n[nH]1)-c1ccc(C)cc1)c1ccc(OC)nc1
Show InChI InChI=1S/C19H20N4O2/c1-4-23(15-9-10-18(25-3)20-12-15)19(24)17-11-16(21-22-17)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3,(H,21,22)
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41n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314522
PNG
(CHEMBL1089272 | N-ethyl-N-(6-methoxypyridin-3-yl)-...)
Show SMILES CCN(C(=O)COc1ccc2ccccc2c1)c1ccc(OC)nc1
Show InChI InChI=1S/C20H20N2O3/c1-3-22(17-9-11-19(24-2)21-13-17)20(23)14-25-18-10-8-15-6-4-5-7-16(15)12-18/h4-13H,3,14H2,1-2H3
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48n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314524
PNG
(CHEMBL1093709 | N-ethyl-6-(4-methoxyphenyl)-N-(6-m...)
Show SMILES CCN(C(=O)c1ccc([nH]c1=O)-c1ccc(OC)cc1)c1ccc(OC)nc1
Show InChI InChI=1S/C21H21N3O4/c1-4-24(15-7-12-19(28-3)22-13-15)21(26)17-10-11-18(23-20(17)25)14-5-8-16(27-2)9-6-14/h5-13H,4H2,1-3H3,(H,23,25)
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84n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314520
PNG
(CHEMBL1093341 | N-ethyl-5-methoxy-N-(6-methoxypyri...)
Show SMILES CCN(C(=O)c1cc2cc(OC)ccc2o1)c1ccc(OC)nc1
Show InChI InChI=1S/C18H18N2O4/c1-4-20(13-5-8-17(23-3)19-11-13)18(21)16-10-12-9-14(22-2)6-7-15(12)24-16/h5-11H,4H2,1-3H3
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85n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314516
PNG
(CHEMBL1088765 | N-ethyl-N-(6-methoxypyridin-3-yl)-...)
Show SMILES CCN(C(=O)c1cnn(c1C)-c1ccccc1)c1ccc(OC)nc1
Show InChI InChI=1S/C19H20N4O2/c1-4-22(16-10-11-18(25-3)20-12-16)19(24)17-13-21-23(14(17)2)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
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85n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314502
PNG
(CHEMBL1092098 | N-(6-methoxypyridin-3-yl)-N-methyl...)
Show SMILES COc1ccc(cn1)N(C)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H18N2O2/c1-22(18-12-13-19(24-2)21-14-18)20(23)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3
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90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314518
PNG
(CHEMBL1088767 | N-ethyl-1-(4-methoxyphenyl)-N-(6-m...)
Show SMILES CCN(C(=O)c1cnn(c1C)-c1ccc(OC)cc1)c1ccc(OC)nc1
Show InChI InChI=1S/C20H22N4O3/c1-5-23(16-8-11-19(27-4)21-12-16)20(25)18-13-22-24(14(18)2)15-6-9-17(26-3)10-7-15/h6-13H,5H2,1-4H3
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91n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314503
PNG
(CHEMBL1089682 | N-(6-methoxypyridin-3-yl)-N-methyl...)
Show SMILES COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccccc1C
Show InChI InChI=1S/C19H18N4O2/c1-13-6-4-5-7-15(13)16-11-21-17(12-20-16)19(24)23(2)14-8-9-18(25-3)22-10-14/h4-12H,1-3H3
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92n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314523
PNG
(CHEMBL1091770 | N-ethyl-N-(6-methoxypyridin-3-yl)-...)
Show SMILES CCN(C(=O)c1ccc([nH]c1=O)-c1ccccc1)c1ccc(OC)nc1
Show InChI InChI=1S/C20H19N3O3/c1-3-23(15-9-12-18(26-2)21-13-15)20(25)16-10-11-17(22-19(16)24)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,22,24)
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97n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314517
PNG
(CHEMBL1088766 | N-(2-methoxyethyl)-N-(6-methoxypyr...)
Show SMILES COCCN(C(=O)c1cnn(c1C)-c1ccccc1)c1ccc(OC)nc1
Show InChI InChI=1S/C20H22N4O3/c1-15-18(14-22-24(15)16-7-5-4-6-8-16)20(25)23(11-12-26-2)17-9-10-19(27-3)21-13-17/h4-10,13-14H,11-12H2,1-3H3
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98n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314506
PNG
(CHEMBL1093365 | N-(2-methoxyethyl)-N-(6-methoxypyr...)
Show SMILES COCCN(C(=O)c1cnc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C21H22N4O3/c1-15-6-4-5-7-17(15)18-13-23-19(14-22-18)21(26)25(10-11-27-2)16-8-9-20(28-3)24-12-16/h4-9,12-14H,10-11H2,1-3H3
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115n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314504
PNG
(CHEMBL1089025 | N-ethyl-N-(6-methoxypyridin-3-yl)-...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C20H20N4O2/c1-4-24(15-9-10-19(26-3)23-11-15)20(25)18-13-21-17(12-22-18)16-8-6-5-7-14(16)2/h5-13H,4H2,1-3H3
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129n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314505
PNG
(CHEMBL1089026 | N-isopropyl-N-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1ccccc1C
Show InChI InChI=1S/C21H22N4O2/c1-14(2)25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-5-7-15(17)3/h5-14H,1-4H3
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150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314507
PNG
(5-(4-fluoro-2-methylphenyl)-N-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccc(F)cc1C
Show InChI InChI=1S/C19H17FN4O2/c1-12-8-13(20)4-6-15(12)16-10-22-17(11-21-16)19(25)24(2)14-5-7-18(26-3)23-9-14/h4-11H,1-3H3
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218n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314519
PNG
(5-methoxy-N-(6-methoxypyridin-3-yl)-N-methylbenzof...)
Show SMILES COc1ccc2oc(cc2c1)C(=O)N(C)c1ccc(OC)nc1
Show InChI InChI=1S/C17H16N2O4/c1-19(12-4-7-16(22-3)18-10-12)17(20)15-9-11-8-13(21-2)5-6-14(11)23-15/h4-10H,1-3H3
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232n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314521
PNG
(CHEMBL1093342 | N-ethyl-2-(4-isopropylphenoxy)-N-(...)
Show SMILES CCN(C(=O)COc1ccc(cc1)C(C)C)c1ccc(OC)nc1
Show InChI InChI=1S/C19H24N2O3/c1-5-21(16-8-11-18(23-4)20-12-16)19(22)13-24-17-9-6-15(7-10-17)14(2)3/h6-12,14H,5,13H2,1-4H3
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251n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314509
PNG
(5-(4-cyano-2-methylphenyl)-N-ethyl-N-(6-methoxypyr...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C21H19N5O2/c1-4-26(16-6-8-20(28-3)25-11-16)21(27)19-13-23-18(12-24-19)17-7-5-15(10-22)9-14(17)2/h5-9,11-13H,4H2,1-3H3
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393n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314510
PNG
(5-(4-cyano-2-methylphenyl)-N-(2-methoxyethyl)-N-(6...)
Show SMILES COCCN(C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C22H21N5O3/c1-15-10-16(11-23)4-6-18(15)19-13-25-20(14-24-19)22(28)27(8-9-29-2)17-5-7-21(30-3)26-12-17/h4-7,10,12-14H,8-9H2,1-3H3
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433n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50314508
PNG
(5-(4-cyano-2-methylphenyl)-N-(6-methoxypyridin-3-y...)
Show SMILES COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C20H17N5O2/c1-13-8-14(9-21)4-6-16(13)17-11-23-18(12-22-17)20(26)25(2)15-5-7-19(27-3)24-10-15/h4-8,10-12H,1-3H3
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620n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314503
PNG
(CHEMBL1089682 | N-(6-methoxypyridin-3-yl)-N-methyl...)
Show SMILES COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccccc1C
Show InChI InChI=1S/C19H18N4O2/c1-13-6-4-5-7-15(13)16-11-21-17(12-20-16)19(24)23(2)14-8-9-18(25-3)22-10-14/h4-12H,1-3H3
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1.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314507
PNG
(5-(4-fluoro-2-methylphenyl)-N-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccc(F)cc1C
Show InChI InChI=1S/C19H17FN4O2/c1-12-8-13(20)4-6-15(12)16-10-22-17(11-21-16)19(25)24(2)14-5-7-18(26-3)23-9-14/h4-11H,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314513
PNG
(5-(2,3-dimethylphenyl)-N-isopropyl-N-(6-methoxypyr...)
Show SMILES COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1cccc(C)c1C
Show InChI InChI=1S/C22H24N4O2/c1-14(2)26(17-9-10-21(28-5)25-11-17)22(27)20-13-23-19(12-24-20)18-8-6-7-15(3)16(18)4/h6-14H,1-5H3
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2.30E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314504
PNG
(CHEMBL1089025 | N-ethyl-N-(6-methoxypyridin-3-yl)-...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C20H20N4O2/c1-4-24(15-9-10-19(26-3)23-11-15)20(25)18-13-21-17(12-22-18)16-8-6-5-7-14(16)2/h5-13H,4H2,1-3H3
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2.30E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314514
PNG
(5-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-(6-met...)
Show SMILES COCCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1
Show InChI InChI=1S/C22H24N4O3/c1-15-6-5-7-18(16(15)2)19-13-24-20(14-23-19)22(27)26(10-11-28-3)17-8-9-21(29-4)25-12-17/h5-9,12-14H,10-11H2,1-4H3
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2.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314512
PNG
(5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxypyridin...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1
Show InChI InChI=1S/C21H22N4O2/c1-5-25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-7-14(2)15(17)3/h6-13H,5H2,1-4H3
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2.83E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314506
PNG
(CHEMBL1093365 | N-(2-methoxyethyl)-N-(6-methoxypyr...)
Show SMILES COCCN(C(=O)c1cnc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C21H22N4O3/c1-15-6-4-5-7-17(15)18-13-23-19(14-22-18)21(26)25(10-11-27-2)16-8-9-20(28-3)24-12-16/h4-9,12-14H,10-11H2,1-3H3
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3.30E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314511
PNG
(CHEMBL1092458 | N-ethyl-5-(3-fluoro-2-methylphenyl...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1cccc(F)c1C)c1ccc(OC)nc1
Show InChI InChI=1S/C20H19FN4O2/c1-4-25(14-8-9-19(27-3)24-10-14)20(26)18-12-22-17(11-23-18)15-6-5-7-16(21)13(15)2/h5-12H,4H2,1-3H3
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5.90E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314509
PNG
(5-(4-cyano-2-methylphenyl)-N-ethyl-N-(6-methoxypyr...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C21H19N5O2/c1-4-26(16-6-8-20(28-3)25-11-16)21(27)19-13-23-18(12-24-19)17-7-5-15(10-22)9-14(17)2/h5-9,11-13H,4H2,1-3H3
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7.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314510
PNG
(5-(4-cyano-2-methylphenyl)-N-(2-methoxyethyl)-N-(6...)
Show SMILES COCCN(C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C22H21N5O3/c1-15-10-16(11-23)4-6-18(15)19-13-25-20(14-24-19)22(28)27(8-9-29-2)17-5-7-21(30-3)26-12-17/h4-7,10,12-14H,8-9H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314509
PNG
(5-(4-cyano-2-methylphenyl)-N-ethyl-N-(6-methoxypyr...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C21H19N5O2/c1-4-26(16-6-8-20(28-3)25-11-16)21(27)19-13-23-18(12-24-19)17-7-5-15(10-22)9-14(17)2/h5-9,11-13H,4H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314508
PNG
(5-(4-cyano-2-methylphenyl)-N-(6-methoxypyridin-3-y...)
Show SMILES COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C20H17N5O2/c1-13-8-14(9-21)4-6-16(13)17-11-23-18(12-22-17)20(26)25(2)15-5-7-19(27-3)24-10-15/h4-8,10-12H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314506
PNG
(CHEMBL1093365 | N-(2-methoxyethyl)-N-(6-methoxypyr...)
Show SMILES COCCN(C(=O)c1cnc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C21H22N4O3/c1-15-6-4-5-7-17(15)18-13-23-19(14-22-18)21(26)25(10-11-27-2)16-8-9-20(28-3)24-12-16/h4-9,12-14H,10-11H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314505
PNG
(CHEMBL1089026 | N-isopropyl-N-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1ccccc1C
Show InChI InChI=1S/C21H22N4O2/c1-14(2)25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-5-7-15(17)3/h5-14H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314504
PNG
(CHEMBL1089025 | N-ethyl-N-(6-methoxypyridin-3-yl)-...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C20H20N4O2/c1-4-24(15-9-10-19(26-3)23-11-15)20(25)18-13-21-17(12-22-18)16-8-6-5-7-14(16)2/h5-13H,4H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314505
PNG
(CHEMBL1089026 | N-isopropyl-N-(6-methoxypyridin-3-...)
Show SMILES COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1ccccc1C
Show InChI InChI=1S/C21H22N4O2/c1-14(2)25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-5-7-15(17)3/h5-14H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314503
PNG
(CHEMBL1089682 | N-(6-methoxypyridin-3-yl)-N-methyl...)
Show SMILES COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccccc1C
Show InChI InChI=1S/C19H18N4O2/c1-13-6-4-5-7-15(13)16-11-21-17(12-20-16)19(24)23(2)14-8-9-18(25-3)22-10-14/h4-12H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314508
PNG
(5-(4-cyano-2-methylphenyl)-N-(6-methoxypyridin-3-y...)
Show SMILES COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N
Show InChI InChI=1S/C20H17N5O2/c1-13-8-14(9-21)4-6-16(13)17-11-23-18(12-22-17)20(26)25(2)15-5-7-19(27-3)24-10-15/h4-8,10-12H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314513
PNG
(5-(2,3-dimethylphenyl)-N-isopropyl-N-(6-methoxypyr...)
Show SMILES COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1cccc(C)c1C
Show InChI InChI=1S/C22H24N4O2/c1-14(2)26(17-9-10-21(28-5)25-11-17)22(27)20-13-23-19(12-24-20)18-8-6-7-15(3)16(18)4/h6-14H,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314510
PNG
(5-(4-cyano-2-methylphenyl)-N-(2-methoxyethyl)-N-(6...)
Show SMILES COCCN(C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C22H21N5O3/c1-15-10-16(11-23)4-6-18(15)19-13-25-20(14-24-19)22(28)27(8-9-29-2)17-5-7-21(30-3)26-12-17/h4-7,10,12-14H,8-9H2,1-3H3
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1.20E+4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50314511
PNG
(CHEMBL1092458 | N-ethyl-5-(3-fluoro-2-methylphenyl...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1cccc(F)c1C)c1ccc(OC)nc1
Show InChI InChI=1S/C20H19FN4O2/c1-4-25(14-8-9-19(27-3)24-10-14)20(26)18-12-22-17(11-23-18)15-6-5-7-16(21)13(15)2/h5-12H,4H2,1-3H3
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3.43E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V2 receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314512
PNG
(5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxypyridin...)
Show SMILES CCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1
Show InChI InChI=1S/C21H22N4O2/c1-5-25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-7-14(2)15(17)3/h6-13H,5H2,1-4H3
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4.72E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50314514
PNG
(5-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-(6-met...)
Show SMILES COCCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1
Show InChI InChI=1S/C22H24N4O3/c1-15-6-5-7-18(16(15)2)19-13-24-20(14-23-19)22(27)26(10-11-28-3)17-8-9-21(29-4)25-12-17/h5-9,12-14H,10-11H2,1-4H3
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5.39E+5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair