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PubMed code 19081251

Compile data set for download or QSAR
Found 38 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
Oxytocin receptor


(Homo sapiens (Human))		BDBM50326715
PNG
(CHEMBL456263 | N-(6-methoxypyridin-3-yl)-1,2-dimet...)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)c(C)n1
Show InChI InChI=1S/C24H25N5O3S/c1-17-7-5-6-8-22(17)19-9-10-20(25-13-19)15-29(21-11-12-23(32-4)26-14-21)33(30,31)24-16-28(3)18(2)27-24/h5-14,16H,15H2,1-4H3
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PubMed
 0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of 3H-oxytocin from human recombinant oxytocin receptor expressed in CHO cells by filtration binding assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413725
PNG
(CHEMBL456254)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C27H27N3O5S/c1-19-7-5-6-8-24(19)20-9-10-21(28-16-20)18-30(22-11-14-27(35-4)29-17-22)36(31,32)26-15-23(33-2)12-13-25(26)34-3/h5-17H,18H2,1-4H3
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 1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413714
PNG
(CHEMBL458635)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C26H25N3O4S/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(33-3)28-17-22)34(30,31)24-13-11-23(32-2)12-14-24/h4-17H,18H2,1-3H3
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 2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant oxytocin receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413716
PNG
(CHEMBL456464)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C27H27N3O5S/c1-19-7-5-6-8-24(19)20-9-10-21(28-16-20)18-30(22-11-14-27(35-4)29-17-22)36(31,32)26-13-12-23(33-2)15-25(26)34-3/h5-17H,18H2,1-4H3
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 2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413713
PNG
(CHEMBL458634)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1Cl)c1ccc(OC)nc1
Show InChI InChI=1S/C25H22ClN3O4S/c1-32-21-10-12-22(13-11-21)34(30,31)29(20-9-14-25(33-2)28-16-20)17-19-8-7-18(15-27-19)23-5-3-4-6-24(23)26/h3-16H,17H2,1-2H3
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 3.16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant oxytocin receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413717
PNG
(CHEMBL515818)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C24H22N4O3S/c1-18-7-3-4-8-22(18)19-10-11-20(26-15-19)17-28(21-12-13-23(31-2)27-16-21)32(29,30)24-9-5-6-14-25-24/h3-16H,17H2,1-2H3
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 3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413715
PNG
(CHEMBL457544)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1F)c1ccc(OC)nc1
Show InChI InChI=1S/C25H22FN3O4S/c1-32-21-10-12-22(13-11-21)34(30,31)29(20-9-14-25(33-2)28-16-20)17-19-8-7-18(15-27-19)23-5-3-4-6-24(23)26/h3-16H,17H2,1-2H3
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 6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413712
PNG
(CHEMBL515660)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C26H22N4O4S/c1-33-23-10-12-24(13-11-23)35(31,32)30(22-9-14-26(34-2)29-17-22)18-21-8-7-20(16-28-21)25-6-4-3-5-19(25)15-27/h3-14,16-17H,18H2,1-2H3
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 6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant oxytocin receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413718
PNG
(CHEMBL514586)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H25N3O5S2/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(34-2)28-17-22)36(32,33)24-13-11-23(12-14-24)35(3,30)31/h4-17H,18H2,1-3H3
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 6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413714
PNG
(CHEMBL458635)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C26H25N3O4S/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(33-3)28-17-22)34(30,31)24-13-11-23(32-2)12-14-24/h4-17H,18H2,1-3H3
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 7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413715
PNG
(CHEMBL457544)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1F)c1ccc(OC)nc1
Show InChI InChI=1S/C25H22FN3O4S/c1-32-21-10-12-22(13-11-21)34(30,31)29(20-9-14-25(33-2)28-16-20)17-19-8-7-18(15-27-19)23-5-3-4-6-24(23)26/h3-16H,17H2,1-2H3
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 7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant oxytocin receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413719
PNG
(CHEMBL457998)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H23N3O3S/c1-19-8-6-7-11-24(19)20-12-13-21(26-16-20)18-28(22-14-15-25(31-2)27-17-22)32(29,30)23-9-4-3-5-10-23/h3-17H,18H2,1-2H3
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 10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413712
PNG
(CHEMBL515660)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C26H22N4O4S/c1-33-23-10-12-24(13-11-23)35(31,32)30(22-9-14-26(34-2)29-17-22)18-21-8-7-20(16-28-21)25-6-4-3-5-19(25)15-27/h3-14,16-17H,18H2,1-2H3
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 10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413721
PNG
(CHEMBL514123)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1sc(C)nc1C
Show InChI InChI=1S/C24H24N4O3S2/c1-16-7-5-6-8-22(16)19-9-10-20(25-13-19)15-28(21-11-12-23(31-4)26-14-21)33(29,30)24-17(2)27-18(3)32-24/h5-14H,15H2,1-4H3
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 12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413713
PNG
(CHEMBL458634)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1Cl)c1ccc(OC)nc1
Show InChI InChI=1S/C25H22ClN3O4S/c1-32-21-10-12-22(13-11-21)34(30,31)29(20-9-14-25(33-2)28-16-20)17-19-8-7-18(15-27-19)23-5-3-4-6-24(23)26/h3-16H,17H2,1-2H3
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 12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413723
PNG
(CHEMBL458872)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C26H25N3O5S2/c1-19-7-4-5-10-25(19)20-11-12-21(27-16-20)18-29(22-13-14-26(34-2)28-17-22)36(32,33)24-9-6-8-23(15-24)35(3,30)31/h4-17H,18H2,1-3H3
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 12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413722
PNG
(CHEMBL458654)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C23H21N3O3S2/c1-17-6-3-4-7-21(17)18-9-10-19(24-14-18)16-26(20-11-12-22(29-2)25-15-20)31(27,28)23-8-5-13-30-23/h3-15H,16H2,1-2H3
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 12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413720
PNG
(CHEMBL515975)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C23H23N5O3S/c1-17-6-4-5-7-21(17)18-8-9-19(24-12-18)14-28(20-10-11-22(31-3)25-13-20)32(29,30)23-15-27(2)16-26-23/h4-13,15-16H,14H2,1-3H3
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 12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50326715
PNG
(CHEMBL456263 | N-(6-methoxypyridin-3-yl)-1,2-dimet...)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)c(C)n1
Show InChI InChI=1S/C24H25N5O3S/c1-17-7-5-6-8-22(17)19-9-10-20(25-13-19)15-29(21-11-12-23(32-4)26-14-21)33(30,31)24-16-28(3)18(2)27-24/h5-14,16H,15H2,1-4H3
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 12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50413714
PNG
(CHEMBL458635)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C26H25N3O4S/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(33-3)28-17-22)34(30,31)24-13-11-23(32-2)12-14-24/h4-17H,18H2,1-3H3
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 15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant vasopressin V1a receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50413713
PNG
(CHEMBL458634)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1Cl)c1ccc(OC)nc1
Show InChI InChI=1S/C25H22ClN3O4S/c1-32-21-10-12-22(13-11-21)34(30,31)29(20-9-14-25(33-2)28-16-20)17-19-8-7-18(15-27-19)23-5-3-4-6-24(23)26/h3-16H,17H2,1-2H3
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 25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant vasopressin V1a receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50326715
PNG
(CHEMBL456263 | N-(6-methoxypyridin-3-yl)-1,2-dimet...)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)c(C)n1
Show InChI InChI=1S/C24H25N5O3S/c1-17-7-5-6-8-22(17)19-9-10-20(25-13-19)15-29(21-11-12-23(32-4)26-14-21)33(30,31)24-16-28(3)18(2)27-24/h5-14,16H,15H2,1-4H3
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 31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to vasopressin V1b receptor by filtration assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413707
PNG
(CHEMBL515384)
Show SMILES COc1ccc(cn1)N(Cc1nc(cs1)-c1ccccc1)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C21H18N4O3S2/c1-28-19-11-10-17(13-23-19)25(30(26,27)21-9-5-6-12-22-21)14-20-24-18(15-29-20)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3
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 39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413708
PNG
(CHEMBL514287)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1noc(n1)-c1ccccc1)c1ccc(OC)nc1
Show InChI InChI=1S/C22H20N4O5S/c1-29-18-9-11-19(12-10-18)32(27,28)26(17-8-13-21(30-2)23-14-17)15-20-24-22(31-25-20)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
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 39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50413715
PNG
(CHEMBL457544)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1F)c1ccc(OC)nc1
Show InChI InChI=1S/C25H22FN3O4S/c1-32-21-10-12-22(13-11-21)34(30,31)29(20-9-14-25(33-2)28-16-20)17-19-8-7-18(15-27-19)23-5-3-4-6-24(23)26/h3-16H,17H2,1-2H3
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 50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant vasopressin V1a receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50413712
PNG
(CHEMBL515660)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C26H22N4O4S/c1-33-23-10-12-24(13-11-23)35(31,32)30(22-9-14-26(34-2)29-17-22)18-21-8-7-20(16-28-21)25-6-4-3-5-19(25)15-27/h3-14,16-17H,18H2,1-2H3
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 50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant vasopressin V1a receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413710
PNG
(CHEMBL514113)
Show SMILES COc1ccc(cc1)N(Cc1csc(n1)-c1ccccc1)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C22H19N3O3S2/c1-28-20-12-10-19(11-13-20)25(30(26,27)21-9-5-6-14-23-21)15-18-16-29-22(24-18)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3
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 63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50326715
PNG
(CHEMBL456263 | N-(6-methoxypyridin-3-yl)-1,2-dimet...)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)c(C)n1
Show InChI InChI=1S/C24H25N5O3S/c1-17-7-5-6-8-22(17)19-9-10-20(25-13-19)15-29(21-11-12-23(32-4)26-14-21)33(30,31)24-16-28(3)18(2)27-24/h5-14,16H,15H2,1-4H3
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 63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to vasopressin V1a receptor by filtration assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413709
PNG
(CHEMBL459291)
Show SMILES COc1ccc(cn1)N(Cc1nc(no1)-c1ccccc1)S(=O)(=O)c1ccccn1
Show InChI InChI=1S/C20H17N5O4S/c1-28-17-11-10-16(13-22-17)25(30(26,27)19-9-5-6-12-21-19)14-18-23-20(24-29-18)15-7-3-2-4-8-15/h2-13H,14H2,1H3
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 63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50413715
PNG
(CHEMBL457544)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1F)c1ccc(OC)nc1
Show InChI InChI=1S/C25H22FN3O4S/c1-32-21-10-12-22(13-11-21)34(30,31)29(20-9-14-25(33-2)28-16-20)17-19-8-7-18(15-27-19)23-5-3-4-6-24(23)26/h3-16H,17H2,1-2H3
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 63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant vasopressin V2 receptor expressed in yeast cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413711
PNG
(CHEMBL457997)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1)c1ccc(OC)nc1
Show InChI InChI=1S/C25H23N3O4S/c1-31-23-11-13-24(14-12-23)33(29,30)28(22-10-15-25(32-2)27-17-22)18-21-9-8-20(16-26-21)19-6-4-3-5-7-19/h3-17H,18H2,1-2H3
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 126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant oxytocin receptor expressed in CHO cells by fluorescence polarization assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50413724
PNG
(CHEMBL459073)
Show SMILES COc1ccc(cc1)N(Cc1cc2cccc3CCCn(c23)c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H24N2O4S/c1-32-23-14-12-22(13-15-23)28(33(30,31)24-10-3-2-4-11-24)18-21-17-20-8-5-7-19-9-6-16-27(25(19)20)26(21)29/h2-5,7-8,10-15,17H,6,9,16,18H2,1H3
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 200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant oxytocin receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50413714
PNG
(CHEMBL458635)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C)c1ccc(OC)nc1
Show InChI InChI=1S/C26H25N3O4S/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(33-3)28-17-22)34(30,31)24-13-11-23(32-2)12-14-24/h4-17H,18H2,1-3H3
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 251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant vasopressin V2 receptor expressed in yeast cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50413712
PNG
(CHEMBL515660)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C#N)c1ccc(OC)nc1
Show InChI InChI=1S/C26H22N4O4S/c1-33-23-10-12-24(13-11-23)35(31,32)30(22-9-14-26(34-2)29-17-22)18-21-8-7-20(16-28-21)25-6-4-3-5-19(25)15-27/h3-14,16-17H,18H2,1-2H3
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 501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant vasopressin V2 receptor expressed in yeast cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50413713
PNG
(CHEMBL458634)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1Cl)c1ccc(OC)nc1
Show InChI InChI=1S/C25H22ClN3O4S/c1-32-21-10-12-22(13-11-21)34(30,31)29(20-9-14-25(33-2)28-16-20)17-19-8-7-18(15-27-19)23-5-3-4-6-24(23)26/h3-16H,17H2,1-2H3
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 1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant vasopressin V2 receptor expressed in yeast cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50413724
PNG
(CHEMBL459073)
Show SMILES COc1ccc(cc1)N(Cc1cc2cccc3CCCn(c23)c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H24N2O4S/c1-32-23-14-12-22(13-15-23)28(33(30,31)24-10-3-2-4-11-24)18-21-17-20-8-5-7-19-9-6-16-27(25(19)20)26(21)29/h2-5,7-8,10-15,17H,6,9,16,18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant vasopressin V1a receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50326715
PNG
(CHEMBL456263 | N-(6-methoxypyridin-3-yl)-1,2-dimet...)
Show SMILES COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)c(C)n1
Show InChI InChI=1S/C24H25N5O3S/c1-17-7-5-6-8-22(17)19-9-10-20(25-13-19)15-29(21-11-12-23(32-4)26-14-21)33(30,31)24-16-28(3)18(2)27-24/h5-14,16H,15H2,1-4H3
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 1.26E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to vasopressin V2 receptor by filtration assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50326722
PNG
((Z)-3-(4-(N-(4-chlorophenyl)-N-(2-oxo-2-(2-(2-oxoi...)
Show SMILES CN(C)CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN6O5S/c1-36(2)19-5-18-32-27(38)17-10-21-8-15-24(16-9-21)43(41,42)37(23-13-11-22(31)12-14-23)20-28(39)34-35-29-25-6-3-4-7-26(25)33-30(29)40/h3-4,6-9,11-16H,5,10,17-20H2,1-2H3,(H,32,38)(H,34,39)(H,33,35,40)
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 2.24E+8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant oxytocin receptor expressed in CHO cells by FLIPR assay

Bioorg Med Chem Lett 19: 528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.018
BindingDB Entry DOI: 10.7270/Q2N29Z5F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%