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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'borthwick' and Initial = 'ja'   
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))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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PubMed
1.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417689
PNG
(CHEMBL1643585)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC(C)C)cc1)C1CCCC1
Show InChI InChI=1S/C27H35N3O3S2/c1-20(2)16-28-17-21-8-10-22(11-9-21)27-29-23(19-34-27)18-30(24-6-4-5-7-24)35(31,32)26-14-12-25(33-3)13-15-26/h8-15,19-20,24,28H,4-7,16-18H2,1-3H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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43.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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58.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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58.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417699
PNG
(CHEMBL1643595)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(NC(=O)c2cccnc2)n1)C1CCCC1
Show InChI InChI=1S/C22H24N4O4S2/c1-30-19-8-10-20(11-9-19)32(28,29)26(18-6-2-3-7-18)14-17-15-31-22(24-17)25-21(27)16-5-4-12-23-13-16/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,24,25,27)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417690
PNG
(CHEMBL1643586)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C27H35N3O3S2/c1-4-29(5-2)18-21-10-12-22(13-11-21)27-28-23(20-34-27)19-30(24-8-6-7-9-24)35(31,32)26-16-14-25(33-3)15-17-26/h10-17,20,24H,4-9,18-19H2,1-3H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417692
PNG
(CHEMBL1643588)
Show SMILES CCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C26H33N3O3S2/c1-3-16-27-17-20-8-10-21(11-9-20)26-28-22(19-33-26)18-29(23-6-4-5-7-23)34(30,31)25-14-12-24(32-2)13-15-25/h8-15,19,23,27H,3-7,16-18H2,1-2H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417691
PNG
(CHEMBL1643587)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC(C)(C)C)cc1)C1CCCC1
Show InChI InChI=1S/C28H37N3O3S2/c1-28(2,3)20-29-17-21-9-11-22(12-10-21)27-30-23(19-35-27)18-31(24-7-5-6-8-24)36(32,33)26-15-13-25(34-4)14-16-26/h9-16,19,24,29H,5-8,17-18,20H2,1-4H3
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417716
PNG
(CHEMBL1643612)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCOCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C27H35N3O4S2/c1-3-4-15-28-18-21-5-7-22(8-6-21)27-29-23(20-35-27)19-30(24-13-16-34-17-14-24)36(31,32)26-11-9-25(33-2)10-12-26/h5-12,20,24,28H,3-4,13-19H2,1-2H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417688
PNG
(CHEMBL1643584)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C27H35N3O3S2/c1-3-4-17-28-18-21-9-11-22(12-10-21)27-29-23(20-34-27)19-30(24-7-5-6-8-24)35(31,32)26-15-13-25(33-2)14-16-26/h9-16,20,24,28H,3-8,17-19H2,1-2H3
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417700
PNG
(CHEMBL1643596)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(NC(=O)c2ccncc2)n1)C1CCCC1
Show InChI InChI=1S/C22H24N4O4S2/c1-30-19-6-8-20(9-7-19)32(28,29)26(18-4-2-3-5-18)14-17-15-31-22(24-17)25-21(27)16-10-12-23-13-11-16/h6-13,15,18H,2-5,14H2,1H3,(H,24,25,27)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417714
PNG
(CHEMBL1643610)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2cccc(NC(C)=O)c2)cs1
Show InChI InChI=1S/C28H36N4O3S2/c1-3-4-16-29-18-22-12-14-23(15-13-22)28-31-25(20-36-28)19-32(26-9-5-6-10-26)37(34,35)27-11-7-8-24(17-27)30-21(2)33/h7-8,11-15,17,20,26,29H,3-6,9-10,16,18-19H2,1-2H3,(H,30,33)
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251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417718
PNG
(CHEMBL1643598)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(NC(=O)C(C)C)n1)C1CCCC1
Show InChI InChI=1S/C20H27N3O4S2/c1-14(2)19(24)22-20-21-15(13-28-20)12-23(16-6-4-5-7-16)29(25,26)18-10-8-17(27-3)9-11-18/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,21,22,24)
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417693
PNG
(CHEMBL1643589)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC2CCCCC2)cc1)C1CCCC1
Show InChI InChI=1S/C30H39N3O3S2/c1-36-28-15-17-29(18-16-28)38(34,35)33(27-9-5-6-10-27)21-26-22-37-30(32-26)25-13-11-24(12-14-25)20-31-19-23-7-3-2-4-8-23/h11-18,22-23,27,31H,2-10,19-21H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417701
PNG
(CHEMBL1643597)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C24H27N3O5S2/c1-31-20-9-7-17(8-10-20)23(28)26-24-25-18(16-33-24)15-27(19-5-3-4-6-19)34(29,30)22-13-11-21(32-2)12-14-22/h7-14,16,19H,3-6,15H2,1-2H3,(H,25,26,28)
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417702
PNG
(CHEMBL1641623)
Show SMILES CCCCNCc1ccc(cc1)-c1cccc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)n1
Show InChI InChI=1S/C29H37N3O3S/c1-3-4-20-30-21-23-12-14-24(15-13-23)29-11-7-8-25(31-29)22-32(26-9-5-6-10-26)36(33,34)28-18-16-27(35-2)17-19-28/h7-8,11-19,26,30H,3-6,9-10,20-22H2,1-2H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417694
PNG
(CHEMBL1643590)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCc2ccoc2)cc1)C1CCCC1
Show InChI InChI=1S/C28H31N3O4S2/c1-34-26-10-12-27(13-11-26)37(32,33)31(25-4-2-3-5-25)18-24-20-36-28(30-24)23-8-6-21(7-9-23)16-29-17-22-14-15-35-19-22/h6-15,19-20,25,29H,2-5,16-18H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417712
PNG
(CHEMBL1643608)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(F)cc2)cs1
Show InChI InChI=1S/C26H32FN3O2S2/c1-2-3-16-28-17-20-8-10-21(11-9-20)26-29-23(19-33-26)18-30(24-6-4-5-7-24)34(31,32)25-14-12-22(27)13-15-25/h8-15,19,24,28H,2-7,16-18H2,1H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417696
PNG
(CHEMBL1643592)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(cc1)C(N)=O)C1CCCC1
Show InChI InChI=1S/C23H25N3O4S2/c1-30-20-10-12-21(13-11-20)32(28,29)26(19-4-2-3-5-19)14-18-15-31-23(25-18)17-8-6-16(7-9-17)22(24)27/h6-13,15,19H,2-5,14H2,1H3,(H2,24,27)
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417707
PNG
(CHEMBL1643603)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2cccc(OC)c2)cs1
Show InChI InChI=1S/C27H35N3O3S2/c1-3-4-16-28-18-21-12-14-22(15-13-21)27-29-23(20-34-27)19-30(24-8-5-6-9-24)35(31,32)26-11-7-10-25(17-26)33-2/h7,10-15,17,20,24,28H,3-6,8-9,16,18-19H2,1-2H3
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501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417715
PNG
(CHEMBL1643611)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN([C@@H]2CCOC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C26H33N3O4S2/c1-3-4-14-27-16-20-5-7-21(8-6-20)26-28-22(19-34-26)17-29(23-13-15-33-18-23)35(30,31)25-11-9-24(32-2)10-12-25/h5-12,19,23,27H,3-4,13-18H2,1-2H3/t23-/m1/s1
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417713
PNG
(CHEMBL1643609)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccccc2)cs1
Show InChI InChI=1S/C26H33N3O2S2/c1-2-3-17-27-18-21-13-15-22(16-14-21)26-28-23(20-32-26)19-29(24-9-7-8-10-24)33(30,31)25-11-5-4-6-12-25/h4-6,11-16,20,24,27H,2-3,7-10,17-19H2,1H3
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417697
PNG
(CHEMBL1643593)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(cc1)C(=O)N(C)C)C1CCCC1
Show InChI InChI=1S/C25H29N3O4S2/c1-27(2)25(29)19-10-8-18(9-11-19)24-26-20(17-33-24)16-28(21-6-4-5-7-21)34(30,31)23-14-12-22(32-3)13-15-23/h8-15,17,21H,4-7,16H2,1-3H3
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417704
PNG
(CHEMBL1643600)
Show SMILES CCCCNCc1ccc(cc1)-c1csc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C28H36N2O3S2/c1-3-4-17-29-19-22-9-11-23(12-10-22)24-18-27(34-21-24)20-30(25-7-5-6-8-25)35(31,32)28-15-13-26(33-2)14-16-28/h9-16,18,21,25,29H,3-8,17,19-20H2,1-2H3
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417698
PNG
(CHEMBL1643594)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(cc1)C(O)=O)C1CCCC1
Show InChI InChI=1S/C23H24N2O5S2/c1-30-20-10-12-21(13-11-20)32(28,29)25(19-4-2-3-5-19)14-18-15-31-22(24-18)16-6-8-17(9-7-16)23(26)27/h6-13,15,19H,2-5,14H2,1H3,(H,26,27)
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50417689
PNG
(CHEMBL1643585)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC(C)C)cc1)C1CCCC1
Show InChI InChI=1S/C27H35N3O3S2/c1-20(2)16-28-17-21-8-10-22(11-9-21)27-29-23(19-34-27)18-30(24-6-4-5-7-24)35(31,32)26-14-12-25(33-3)13-15-26/h8-15,19-20,24,28H,4-7,16-18H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417706
PNG
(CHEMBL1643602)
Show SMILES CCCCNCc1ccc(cc1)-c1cc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)ccc1F
Show InChI InChI=1S/C30H37FN2O3S/c1-3-4-19-32-21-23-9-12-25(13-10-23)29-20-24(11-18-30(29)31)22-33(26-7-5-6-8-26)37(34,35)28-16-14-27(36-2)15-17-28/h9-18,20,26,32H,3-8,19,21-22H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417717
PNG
(CHEMBL1643613)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C26H33N3O5S3/c1-3-4-14-27-16-20-5-7-21(8-6-20)26-28-22(18-35-26)17-29(23-13-15-36(30,31)19-23)37(32,33)25-11-9-24(34-2)10-12-25/h5-12,18,23,27H,3-4,13-17,19H2,1-2H3
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417710
PNG
(CHEMBL1643606)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC(C)C)cc2)cs1
Show InChI InChI=1S/C29H39N3O3S2/c1-4-5-18-30-19-23-10-12-24(13-11-23)29-31-25(21-36-29)20-32(26-8-6-7-9-26)37(33,34)28-16-14-27(15-17-28)35-22(2)3/h10-17,21-22,26,30H,4-9,18-20H2,1-3H3
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417708
PNG
(CHEMBL1643604)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccccc2OC)cs1
Show InChI InChI=1S/C27H35N3O3S2/c1-3-4-17-28-18-21-13-15-22(16-14-21)27-29-23(20-34-27)19-30(24-9-5-6-10-24)35(31,32)26-12-8-7-11-25(26)33-2/h7-8,11-16,20,24,28H,3-6,9-10,17-19H2,1-2H3
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417709
PNG
(CHEMBL1643605)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cs1
Show InChI InChI=1S/C28H37N3O4S2/c1-4-5-16-29-18-21-10-12-22(13-11-21)28-30-23(20-36-28)19-31(24-8-6-7-9-24)37(32,33)25-14-15-26(34-2)27(17-25)35-3/h10-15,17,20,24,29H,4-9,16,18-19H2,1-3H3
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417703
PNG
(CHEMBL1643599)
Show SMILES CCCCNCc1ccc(cc1)-c1cccc(n1)C(C)N(C1CCCC1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C30H39N3O3S/c1-4-5-21-31-22-24-13-15-25(16-14-24)30-12-8-11-29(32-30)23(2)33(26-9-6-7-10-26)37(34,35)28-19-17-27(36-3)18-20-28/h8,11-20,23,26,31H,4-7,9-10,21-22H2,1-3H3
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1.26E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50417692
PNG
(CHEMBL1643588)
Show SMILES CCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C26H33N3O3S2/c1-3-16-27-17-20-8-10-21(11-9-20)26-28-22(19-33-26)18-29(23-6-4-5-7-23)34(30,31)25-14-12-24(32-2)13-15-25/h8-15,19,23,27H,3-7,16-18H2,1-2H3
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50417690
PNG
(CHEMBL1643586)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C27H35N3O3S2/c1-4-29(5-2)18-21-10-12-22(13-11-21)27-28-23(20-34-27)19-30(24-8-6-7-9-24)35(31,32)26-16-14-25(33-3)15-17-26/h10-17,20,24H,4-9,18-19H2,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417711
PNG
(CHEMBL1643607)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cs1
Show InChI InChI=1S/C27H32F3N3O3S2/c1-2-3-16-31-17-20-8-10-21(11-9-20)26-32-22(19-37-26)18-33(23-6-4-5-7-23)38(34,35)25-14-12-24(13-15-25)36-27(28,29)30/h8-15,19,23,31H,2-7,16-18H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50417688
PNG
(CHEMBL1643584)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C27H35N3O3S2/c1-3-4-17-28-18-21-9-11-22(12-10-21)27-29-23(20-34-27)19-30(24-7-5-6-8-24)35(31,32)26-15-13-25(33-2)14-16-26/h9-16,20,24,28H,3-8,17-19H2,1-2H3
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50417689
PNG
(CHEMBL1643585)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC(C)C)cc1)C1CCCC1
Show InChI InChI=1S/C27H35N3O3S2/c1-20(2)16-28-17-21-8-10-22(11-9-21)27-29-23(19-34-27)18-30(24-6-4-5-7-24)35(31,32)26-14-12-25(33-3)13-15-26/h8-15,19-20,24,28H,4-7,16-18H2,1-3H3
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417695
PNG
(CHEMBL1643591)
Show SMILES COc1ccc(CNCc2ccc(cc2)-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1
Show InChI InChI=1S/C31H35N3O4S2/c1-37-28-13-9-24(10-14-28)20-32-19-23-7-11-25(12-8-23)31-33-26(22-39-31)21-34(27-5-3-4-6-27)40(35,36)30-17-15-29(38-2)16-18-30/h7-18,22,27,32H,3-6,19-21H2,1-2H3
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50417693
PNG
(CHEMBL1643589)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC2CCCCC2)cc1)C1CCCC1
Show InChI InChI=1S/C30H39N3O3S2/c1-36-28-15-17-29(18-16-28)38(34,35)33(27-9-5-6-10-27)21-26-22-37-30(32-26)25-13-11-24(12-14-25)20-31-19-23-7-3-2-4-8-23/h11-18,22-23,27,31H,2-10,19-21H2,1H3
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3.16E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50417705
PNG
(CHEMBL1643601)
Show SMILES CCCCNCc1ccc(cc1)-c1ccc(F)c(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C30H37FN2O3S/c1-3-4-19-32-21-23-9-11-24(12-10-23)25-13-18-30(31)26(20-25)22-33(27-7-5-6-8-27)37(34,35)29-16-14-28(36-2)15-17-29/h9-18,20,27,32H,3-8,19,21-22H2,1-2H3
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3.16E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50417690
PNG
(CHEMBL1643586)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C27H35N3O3S2/c1-4-29(5-2)18-21-10-12-22(13-11-21)27-28-23(20-34-27)19-30(24-8-6-7-9-24)35(31,32)26-16-14-25(33-3)15-17-26/h10-17,20,24H,4-9,18-19H2,1-3H3
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3.98E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50417688
PNG
(CHEMBL1643584)
Show SMILES CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C27H35N3O3S2/c1-3-4-17-28-18-21-9-11-22(12-10-21)27-29-23(20-34-27)19-30(24-7-5-6-8-24)35(31,32)26-15-13-25(33-2)14-16-26/h9-16,20,24,28H,3-8,17-19H2,1-2H3
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5.01E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50299342
PNG
(CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3
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5.62E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50417692
PNG
(CHEMBL1643588)
Show SMILES CCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)cs1
Show InChI InChI=1S/C26H33N3O3S2/c1-3-16-27-17-20-8-10-21(11-9-20)26-28-22(19-33-26)18-29(23-6-4-5-7-23)34(30,31)25-14-12-24(32-2)13-15-25/h8-15,19,23,27H,3-7,16-18H2,1-2H3
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6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50417694
PNG
(CHEMBL1643590)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCc2ccoc2)cc1)C1CCCC1
Show InChI InChI=1S/C28H31N3O4S2/c1-34-26-10-12-27(13-11-26)37(32,33)31(25-4-2-3-5-25)18-24-20-36-28(30-24)23-8-6-21(7-9-23)16-29-17-22-14-15-35-19-22/h6-15,19-20,25,29H,2-5,16-18H2,1H3
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6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50417693
PNG
(CHEMBL1643589)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC2CCCCC2)cc1)C1CCCC1
Show InChI InChI=1S/C30H39N3O3S2/c1-36-28-15-17-29(18-16-28)38(34,35)33(27-9-5-6-10-27)21-26-22-37-30(32-26)25-13-11-24(12-14-25)20-31-19-23-7-3-2-4-8-23/h11-18,22-23,27,31H,2-10,19-21H2,1H3
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6.31E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50417691
PNG
(CHEMBL1643587)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC(C)(C)C)cc1)C1CCCC1
Show InChI InChI=1S/C28H37N3O3S2/c1-28(2,3)20-29-17-21-9-11-22(12-10-21)27-30-23(19-35-27)18-31(24-7-5-6-8-24)36(32,33)26-15-13-25(34-4)14-16-26/h9-16,19,24,29H,5-8,17-18,20H2,1-4H3
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7.94E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1a receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50417694
PNG
(CHEMBL1643590)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCc2ccoc2)cc1)C1CCCC1
Show InChI InChI=1S/C28H31N3O4S2/c1-34-26-10-12-27(13-11-26)37(32,33)31(25-4-2-3-5-25)18-24-20-36-28(30-24)23-8-6-21(7-9-23)16-29-17-22-14-15-35-19-22/h6-15,19-20,25,29H,2-5,16-18H2,1H3
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2.00E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...


Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
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