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Compile Data Set for Download or QSAR

Found 431 hits of ic50 for UniProtKB: P37288   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354912
PNG
(CHEMBL1837039)
Show SMILES CN(C)S(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C22H26ClN7O2S/c1-27(2)33(31,32)29-14-17-13-18(23)6-7-19(17)30-21(15-29)25-26-22(30)16-8-11-28(12-9-16)20-5-3-4-10-24-20/h3-7,10,13,16H,8-9,11-12,14-15H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM190298
PNG
(US9180120, 2)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H22ClF6N5O5/c25-15-7-5-13(6-8-15)20-34-36(22(40)35(20)10-18(37)24(29,30)31)11-19(38)33-9-14(12-41-21(32)39)16-3-1-2-4-17(16)23(26,27)28/h1-8,14,18,37H,9-12H2,(H2,32,39)(H,33,38)/t14?,18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137948
PNG
(Biphenyl-2-carboxylic acid [2-[3-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-19-9-20-40(24-23-39)21-10-25-44-34-27-29(37(43)41-22-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a<1n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354897
PNG
(CHEMBL1837041)
Show SMILES CS(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C21H23ClN6O2S/c1-31(29,30)27-13-16-12-17(22)5-6-18(16)28-20(14-27)24-25-21(28)15-7-10-26(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173291
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N2O/c1-19-8-10-20(11-9-19)21-12-14-22(15-13-21)26(29)28-18-24-6-4-16-27(24)17-23-5-2-3-7-25(23)28/h2-16H,17-18H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50202917
PNG
(CHEMBL389581 | benzyl 2-((2R,3S)-2-((E)-2-(furan-2...)
Show SMILES CC(C)(C)C(=O)C(N1[C@H](\C=C\c2ccco2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H32N2O7/c1-32(2,3)28(35)27(30(37)40-19-21-11-6-4-7-12-21)33-24(17-16-23-15-10-18-39-23)26(29(33)36)34-25(20-41-31(34)38)22-13-8-5-9-14-22/h4-18,24-27H,19-20H2,1-3H3/b17-16+/t24-,25-,26+,27?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells


Bioorg Med Chem 15: 2054-80 (2007)


Article DOI: 10.1016/j.bmc.2006.12.031
BindingDB Entry DOI: 10.7270/Q2GX4B6M
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50366915
PNG
(CHEMBL1788220)
Show SMILES CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
Show InChI InChI=1S/C39H40N4O3/c1-42(2)25-23-40-36(44)31-20-21-39(27-31)22-24-43(35-15-9-6-12-30(35)26-39)38(46)29-16-18-32(19-17-29)41-37(45)34-14-8-7-13-33(34)28-10-4-3-5-11-28/h3-19,27H,20-26H2,1-2H3,(H,40,44)(H,41,45)/t39-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50225162
PNG
((4R)-N-[2-(dimethylamino)ethyl]-1-({4-[(2-phenylbe...)
Show SMILES CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
Show InChI InChI=1S/C39H40N4O3/c1-42(2)25-23-40-36(44)31-20-21-39(27-31)22-24-43(35-15-9-6-12-30(35)26-39)38(46)29-16-18-32(19-17-29)41-37(45)34-14-8-7-13-33(34)28-10-4-3-5-11-28/h3-19,27H,20-26H2,1-2H3,(H,40,44)(H,41,45)/t39-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50173297
PNG
((5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES O=C(N1Cc2cccn2Cc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H20N2O/c28-25(21-14-12-20(13-15-21)19-7-2-1-3-8-19)27-18-23-10-6-16-26(23)17-22-9-4-5-11-24(22)27/h1-16H,17-18H2
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-AVP binding to human vasopressin V1a receptor


Bioorg Med Chem Lett 15: 5003-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.007
BindingDB Entry DOI: 10.7270/Q2C828WH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354913
PNG
(CHEMBL1837028)
Show SMILES Clc1cccc(Cn2c(Cn3nccn3)nnc2C2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C22H23ClN8/c23-19-5-3-4-17(14-19)15-30-21(16-31-25-10-11-26-31)27-28-22(30)18-7-12-29(13-8-18)20-6-1-2-9-24-20/h1-6,9-11,14,18H,7-8,12-13,15-16H2
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


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



Pfizer Global Research and Development

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.04.068
BindingDB Entry DOI: 10.7270/Q24F1QW2
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137940
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354895
PNG
(CHEMBL1837038)
Show SMILES COC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C22H23ClN6O2/c1-31-22(30)28-13-16-12-17(23)5-6-18(16)29-20(14-28)25-26-21(29)15-7-10-27(11-8-15)19-4-2-3-9-24-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137953
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-diethylamino-p...)
Show SMILES CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C41H48N4O4S/c1-3-43(4-2)32-21-25-44(26-22-32)39(46)18-12-27-49-37-29-31(41(48)45-24-11-10-17-38-36(45)23-28-50-38)19-20-35(37)42-40(47)34-16-9-8-15-33(34)30-13-6-5-7-14-30/h5-9,13-16,19-20,23,28-29,32H,3-4,10-12,17-18,21-22,24-27H2,1-2H3,(H,42,47)
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n/an/a 4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50366914
PNG
(CHEMBL1788221)
Show SMILES CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2
Show InChI InChI=1S/C33H35FN4O3/c1-37(2)20-18-35-30(39)25-15-16-33(22-25)17-19-38(29-10-6-3-7-24(29)21-33)32(41)23-11-13-26(14-12-23)36-31(40)27-8-4-5-9-28(27)34/h3-14,22H,15-21H2,1-2H3,(H,35,39)(H,36,40)/t33-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM192450
PNG
(US9187466, 42 | US9687476, 42)
Show SMILES COc1ccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H21Cl3N6O2/c1-37-19-11-5-16(6-12-19)14-34-25(17-7-9-18(27)10-8-17)33-35(26(34)36)15-24-30-23(31-32-24)13-20-21(28)3-2-4-22(20)29/h2-12H,13-15H2,1H3,(H,30,31,32)
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n/an/a 4n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147223
PNG
(3'N-(2-hydroxyethyl)-1-[4-(2-fluorophenylcarboxami...)
Show SMILES OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2
Show InChI InChI=1S/C31H30FN3O4/c32-26-7-3-2-6-25(26)29(38)34-24-11-9-21(10-12-24)30(39)35-17-15-31(19-22-5-1-4-8-27(22)35)14-13-23(20-31)28(37)33-16-18-36/h1-12,20,36H,13-19H2,(H,33,37)(H,34,38)
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n/an/a 4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119813
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12
Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00649-2
BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM190349
PNG
(US9180120, 53)
Show SMILES OC[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O
Show InChI InChI=1S/C23H21ClF6N4O4/c24-16-6-4-14(5-7-16)20-32-34(21(38)33(20)10-18(36)23(28,29)30)11-19(37)31-17(12-35)9-13-2-1-3-15(8-13)22(25,26)27/h1-8,17-18,35-36H,9-12H2,(H,31,37)/t17-,18+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM192450
PNG
(US9187466, 42 | US9687476, 42)
Show SMILES COc1ccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H21Cl3N6O2/c1-37-19-11-5-16(6-12-19)14-34-25(17-7-9-18(27)10-8-17)33-35(26(34)36)15-24-30-23(31-32-24)13-20-21(28)3-2-4-22(20)29/h2-12H,13-15H2,1H3,(H,30,31,32)
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n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147224
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(2-phenylphenylcar...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
Show InChI InChI=1S/C39H40N4O3/c1-42(2)25-23-40-36(44)31-20-21-39(27-31)22-24-43(35-15-9-6-12-30(35)26-39)38(46)29-16-18-32(19-17-29)41-37(45)34-14-8-7-13-33(34)28-10-4-3-5-11-28/h3-19,27H,20-26H2,1-2H3,(H,40,44)(H,41,45)
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n/an/a 4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM190309
PNG
(US9180120, 13)
Show SMILES CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H28ClF6N5O5/c1-25(2,3)44-23(42)36-19(17-6-4-5-7-18(17)26(29,30)31)12-35-21(41)14-39-24(43)38(13-20(40)27(32,33)34)22(37-39)15-8-10-16(28)11-9-15/h4-11,19-20,40H,12-14H2,1-3H3,(H,35,41)(H,36,42)/t19?,20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147227
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(5-fluoro-2-methy...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2
Show InChI InChI=1S/C35H39FN4O3/c1-24-9-12-28(36)21-30(24)33(42)38-29-13-10-25(11-14-29)34(43)40-20-17-35(22-26-7-4-5-8-31(26)40)16-15-27(23-35)32(41)37-18-6-19-39(2)3/h4-5,7-14,21,23H,6,15-20,22H2,1-3H3,(H,37,41)(H,38,42)
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n/an/a 4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147220
PNG
(4-{2-[1-[4-(2-fluorophenylcarboxamido)benzoyl]spir...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCOCC2)Cc2ccccc12
Show InChI InChI=1S/C35H37FN4O4/c36-30-7-3-2-6-29(30)33(42)38-28-11-9-25(10-12-28)34(43)40-17-15-35(23-26-5-1-4-8-31(26)40)14-13-27(24-35)32(41)37-16-18-39-19-21-44-22-20-39/h1-12,24H,13-23H2,(H,37,41)(H,38,42)
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n/an/a 4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM192456
PNG
(US9187466, 71 | US9687476, 71)
Show SMILES FC(F)(F)CCn1c(nn(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16Cl3F3N6O/c22-13-6-4-12(5-7-13)19-31-33(20(34)32(19)9-8-21(25,26)27)11-18-28-17(29-30-18)10-14-15(23)2-1-3-16(14)24/h1-7H,8-11H2,(H,28,29,30)
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n/an/a 4.20n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM192456
PNG
(US9187466, 71 | US9687476, 71)
Show SMILES FC(F)(F)CCn1c(nn(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16Cl3F3N6O/c22-13-6-4-12(5-7-13)19-31-33(20(34)32(19)9-8-21(25,26)27)11-18-28-17(29-30-18)10-14-15(23)2-1-3-16(14)24/h1-7H,8-11H2,(H,28,29,30)
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n/an/a 4.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354896
PNG
(CHEMBL1837040)
Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50202865
PNG
(CHEMBL389363 | benzyl 4,4-dimethyl-3-oxo-2-((3S,4R...)
Show SMILES CC(C)(C)C(=O)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H34N2O6/c1-34(2,3)30(37)29(32(39)41-21-24-15-9-5-10-16-24)35-26(20-19-23-13-7-4-8-14-23)28(31(35)38)36-27(22-42-33(36)40)25-17-11-6-12-18-25/h4-20,26-29H,21-22H2,1-3H3/b20-19+/t26-,27-,28+,29?/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells


Bioorg Med Chem 15: 2054-80 (2007)


Article DOI: 10.1016/j.bmc.2006.12.031
BindingDB Entry DOI: 10.7270/Q2GX4B6M
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147221
PNG
(3'N-(2-hydroxyethyl)-1-[4-(2-phenylphenylcarboxami...)
Show SMILES OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
Show InChI InChI=1S/C37H35N3O4/c41-23-21-38-34(42)29-18-19-37(25-29)20-22-40(33-13-7-4-10-28(33)24-37)36(44)27-14-16-30(17-15-27)39-35(43)32-12-6-5-11-31(32)26-8-2-1-3-9-26/h1-17,25,41H,18-24H2,(H,38,42)(H,39,43)
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n/an/a 5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147228
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(2-phenylphenylca...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
Show InChI InChI=1S/C40H42N4O3/c1-43(2)25-10-24-41-37(45)32-21-22-40(28-32)23-26-44(36-16-9-6-13-31(36)27-40)39(47)30-17-19-33(20-18-30)42-38(46)35-15-8-7-14-34(35)29-11-4-3-5-12-29/h3-9,11-20,28H,10,21-27H2,1-2H3,(H,41,45)(H,42,46)
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n/an/a 5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147219
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(5-fluoro-2-methyl...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2
Show InChI InChI=1S/C34H37FN4O3/c1-23-8-11-27(35)20-29(23)32(41)37-28-12-9-24(10-13-28)33(42)39-18-16-34(21-25-6-4-5-7-30(25)39)15-14-26(22-34)31(40)36-17-19-38(2)3/h4-13,20,22H,14-19,21H2,1-3H3,(H,36,40)(H,37,41)
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n/an/a 5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50119812
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(C4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C28H25Cl2N3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00649-2
BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137951
PNG
(Biphenyl-2-carboxylic acid [2-{4-[(2-dimethylamino...)
Show SMILES CN(C)CCN(C)CCCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H44N4O3S/c1-39(2)23-24-40(3)21-11-12-25-44-34-27-29(37(43)41-22-10-9-17-35-33(41)20-26-45-35)18-19-32(34)38-36(42)31-16-8-7-15-30(31)28-13-5-4-6-14-28/h4-8,13-16,18-20,26-27H,9-12,17,21-25H2,1-3H3,(H,38,42)
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n/an/a 5n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137945
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CCCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-21-23-40(24-22-39)19-9-10-25-44-34-27-29(37(43)41-20-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a 5n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147224
PNG
(3'N-(2-dimethylaminoethyl)-1-[4-(2-phenylphenylcar...)
Show SMILES CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
Show InChI InChI=1S/C39H40N4O3/c1-42(2)25-23-40-36(44)31-20-21-39(27-31)22-24-43(35-15-9-6-12-30(35)26-39)38(46)29-16-18-32(19-17-29)41-37(45)34-14-8-7-13-33(34)28-10-4-3-5-11-28/h3-19,27H,20-26H2,1-2H3,(H,40,44)(H,41,45)
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n/an/a 5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147227
PNG
(3'N-(3-dimethylaminopropyl)-1-[4-(5-fluoro-2-methy...)
Show SMILES CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2
Show InChI InChI=1S/C35H39FN4O3/c1-24-9-12-28(36)21-30(24)33(42)38-29-13-10-25(11-14-29)34(43)40-20-17-35(22-26-7-4-5-8-31(26)40)16-15-27(23-35)32(41)37-18-6-19-39(2)3/h4-5,7-14,21,23H,6,15-20,22H2,1-3H3,(H,37,41)(H,38,42)
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n/an/a 5n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50225163
PNG
((4R)-1-({4-[(2-chloro-5-fluorobenzene)amido]-3-met...)
Show SMILES COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(O)=O)Cc2ccccc12
Show InChI InChI=1S/C30H26ClFN2O5/c1-39-26-14-18(6-9-24(26)33-27(35)22-15-21(32)7-8-23(22)31)28(36)34-13-12-30(11-10-20(17-30)29(37)38)16-19-4-2-3-5-25(19)34/h2-9,14-15,17H,10-13,16H2,1H3,(H,33,35)(H,37,38)/t30-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM190343
PNG
(US9180120, 47)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2F3N5O5/c23-13-7-5-12(6-8-13)19-30-32(21(36)31(19)10-17(33)22(25,26)27)11-18(34)29-9-16(37-20(28)35)14-3-1-2-4-15(14)24/h1-8,16-17,33H,9-11H2,(H2,28,35)(H,29,34)/t16?,17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147221
PNG
(3'N-(2-hydroxyethyl)-1-[4-(2-phenylphenylcarboxami...)
Show SMILES OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2
Show InChI InChI=1S/C37H35N3O4/c41-23-21-38-34(42)29-18-19-37(25-29)20-22-40(33-13-7-4-10-28(33)24-37)36(44)27-14-16-30(17-15-27)39-35(43)32-12-6-5-11-31(32)26-8-2-1-3-9-26/h1-17,25,41H,18-24H2,(H,38,42)(H,39,43)
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n/an/a 6n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50065122
PNG
(CHEMBL306970 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19ClFN3O2/c27-23-14-19(28)9-12-22(23)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)
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n/an/a 6.30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from vasopressin receptor (V1a) from human platelet membranes.


J Med Chem 41: 2442-4 (1998)


Article DOI: 10.1021/jm980179c
BindingDB Entry DOI: 10.7270/Q2CC0ZT5
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM192468
PNG
(US9187466, 110 | US9687476, 110)
Show SMILES O[C@@H](Cn1c(nn(Cc2cn(cn2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H16Cl2F3N5O2/c22-14-7-5-13(6-8-14)19-28-31(20(33)30(19)11-18(32)21(24,25)26)10-15-9-29(12-27-15)17-4-2-1-3-16(17)23/h1-9,12,18,32H,10-11H2/t18-/m0/s1
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n/an/a 6.5n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM192468
PNG
(US9187466, 110 | US9687476, 110)
Show SMILES O[C@@H](Cn1c(nn(Cc2cn(cn2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H16Cl2F3N5O2/c22-14-7-5-13(6-8-14)19-28-31(20(33)30(19)11-18(32)21(24,25)26)10-15-9-29(12-27-15)17-4-2-1-3-16(17)23/h1-9,12,18,32H,10-11H2/t18-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50354894
PNG
(CHEMBL1837037)
Show SMILES CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C21H23ClN6/c1-26-13-16-12-17(22)5-6-18(16)28-20(14-26)24-25-21(28)15-7-10-27(11-8-15)19-4-2-3-9-23-19/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM192453
PNG
(US9187466, 54 | US9687476, 54)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc([nH]2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H15Cl2F3N6O2/c21-12-7-5-11(6-8-12)18-29-31(19(33)30(18)9-15(32)20(23,24)25)10-16-26-17(28-27-16)13-3-1-2-4-14(13)22/h1-8,15,32H,9-10H2,(H,26,27,28)/t15-/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM192453
PNG
(US9187466, 54 | US9687476, 54)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc([nH]2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C20H15Cl2F3N6O2/c21-12-7-5-11(6-8-12)18-29-31(19(33)30(18)9-15(32)20(23,24)25)10-16-26-17(28-27-16)13-3-1-2-4-14(13)22/h1-8,15,32H,9-10H2,(H,26,27,28)/t15-/m0/s1
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n/an/a 6.80n/an/an/an/an/a37



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147230
PNG
(CHEMBL319636 | methyl 2-[1-[4-(5-fluoro-2-methylph...)
Show SMILES COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2
Show InChI InChI=1S/C33H32FN3O5/c1-21-7-10-25(34)17-27(21)31(40)36-26-11-8-22(9-12-26)32(41)37-16-15-33(18-23-5-3-4-6-28(23)37)14-13-24(19-33)30(39)35-20-29(38)42-2/h3-12,17,19H,13-16,18,20H2,1-2H3,(H,35,39)(H,36,40)
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n/an/a 7n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM190348
PNG
(US9180120, 52)
Show SMILES NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H19Cl3F3N5O5/c23-12-6-4-11(5-7-12)19-31-33(21(37)32(19)9-16(34)22(26,27)28)10-17(35)30-8-15(38-20(29)36)13-2-1-3-14(24)18(13)25/h1-7,15-16,34H,8-10H2,(H2,29,36)(H,30,35)/t15?,16-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35725
PNG
(benzazepine derivative, 34)
Show SMILES COc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCC(O)c2cc(Cl)ccc12
Show InChI InChI=1S/C26H25ClN2O4/c1-16-6-3-4-7-19(16)25(31)28-21-11-9-17(14-24(21)33-2)26(32)29-13-5-8-23(30)20-15-18(27)10-12-22(20)29/h3-4,6-7,9-12,14-15,23,30H,5,8,13H2,1-2H3,(H,28,31)
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n/an/a 7n/an/an/an/an/an/a



Otsuka Pharmaceutical Co., Ltd



Assay Description
After reaching confluence in 12-well or 24-well dishes, the cells were washed twice with ice-cold PBS and incubated for 2 hr with [3H]-AVP at 4 deg C...


Bioorg Med Chem 7: 1743-54 (1999)


Article DOI: 10.1080/14756360600991017
BindingDB Entry DOI: 10.7270/Q2W957JR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50147225
PNG
(3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(2-fluorop...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12
Show InChI InChI=1S/C36H39FN4O3/c37-31-10-4-3-9-30(31)34(43)39-29-14-12-26(13-15-29)35(44)41-22-18-36(24-27-8-2-5-11-32(27)41)17-16-28(25-36)33(42)38-19-23-40-20-6-1-7-21-40/h2-5,8-15,25H,1,6-7,16-24H2,(H,38,42)(H,39,43)
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n/an/a 7n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 3143-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.016
BindingDB Entry DOI: 10.7270/Q2Z60PMQ
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50225166
PNG
((4R)-1-({4-[(2-chloro-5-fluorobenzene)amido]-3-eth...)
Show SMILES CCOc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(O)=O)Cc2ccccc12
Show InChI InChI=1S/C31H28ClFN2O5/c1-2-40-27-15-19(7-10-25(27)34-28(36)23-16-22(33)8-9-24(23)32)29(37)35-14-13-31(12-11-21(18-31)30(38)39)17-20-5-3-4-6-26(20)35/h3-10,15-16,18H,2,11-14,17H2,1H3,(H,34,36)(H,38,39)/t31-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-Arg-vasopressin from human recombinant vasopressin V1a receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6623-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.059
BindingDB Entry DOI: 10.7270/Q2T72H5P
More data for this
Ligand-Target Pair
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