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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'wakitani' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
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 V2 receptor using [3H]AVP as radioligand in rat adrenal medulla


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/V1b 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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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 V2 receptor


(Rattus norvegicus (Rat))
BDBM50137956
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39-20-22-40(23-21-39)35(42)15-9-24-45-33-26-28(37(44)41-19-8-7-14-34-32(41)18-25-46-34)16-17-31(33)38-36(43)30-13-6-5-12-29(30)27-10-3-2-4-11-27/h2-6,10-13,16-18,25-26H,7-9,14-15,19-24H2,1H3,(H,38,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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 V2 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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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


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/V1b receptor


(RAT)
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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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


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 V2 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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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


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/V1b 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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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 V2 receptor


(Rattus norvegicus (Rat))
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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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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/V1b receptor


(RAT)
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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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


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 V2 receptor


(Rattus norvegicus (Rat))
BDBM50137949
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C38H42N4O4S/c1-40-20-10-21-41(24-23-40)36(43)16-9-25-46-34-27-29(38(45)42-22-8-7-15-35-33(42)19-26-47-35)17-18-32(34)39-37(44)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,17-19,26-27H,7-10,15-16,20-25H2,1H3,(H,39,44)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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/V1b 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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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/V1b receptor


(RAT)
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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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


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 V2 receptor


(Rattus norvegicus (Rat))
BDBM50137946
PNG
(Biphenyl-2-carboxylic acid [2-[2-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39(2)28-17-21-40(22-18-28)35(42)25-45-33-24-27(37(44)41-20-9-8-14-34-32(41)19-23-46-34)15-16-31(33)38-36(43)30-13-7-6-12-29(30)26-10-4-3-5-11-26/h3-7,10-13,15-16,19,23-24,28H,8-9,14,17-18,20-22,25H2,1-2H3,(H,38,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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/V1b 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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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/V1b 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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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/V1b receptor


(RAT)
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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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


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 V2 receptor


(Homo sapiens (Human))
BDBM50137956
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39-20-22-40(23-21-39)35(42)15-9-24-45-33-26-28(37(44)41-19-8-7-14-34-32(41)18-25-46-34)16-17-31(33)38-36(43)30-13-6-5-12-29(30)27-10-3-2-4-11-27/h2-6,10-13,16-18,25-26H,7-9,14-15,19-24H2,1H3,(H,38,43)
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n/an/a 6n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


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 V2 receptor


(Rattus norvegicus (Rat))
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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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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 V2 receptor


(Rattus norvegicus (Rat))
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 7n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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 V2 receptor


(Homo sapiens (Human))
BDBM50137946
PNG
(Biphenyl-2-carboxylic acid [2-[2-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39(2)28-17-21-40(22-18-28)35(42)25-45-33-24-27(37(44)41-20-9-8-14-34-32(41)19-23-46-34)15-16-31(33)38-36(43)30-13-7-6-12-29(30)26-10-4-3-5-11-26/h3-7,10-13,15-16,19,23-24,28H,8-9,14,17-18,20-22,25H2,1-2H3,(H,38,43)
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n/an/a 8n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


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 V2 receptor


(Rattus norvegicus (Rat))
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 8n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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 V2 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 9n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


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/V1b receptor


(Homo sapiens (Human))
BDBM50137942
PNG
(Biphenyl-2-carboxylic acid [2-(4-[1,4']bipiperidin...)
Show SMILES O=C(CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C42H48N4O4S/c47-40(45-26-20-33(21-27-45)44-23-8-2-9-24-44)17-11-28-50-38-30-32(42(49)46-25-10-7-16-39-37(46)22-29-51-39)18-19-36(38)43-41(48)35-15-6-5-14-34(35)31-12-3-1-4-13-31/h1,3-6,12-15,18-19,22,29-30,33H,2,7-11,16-17,20-21,23-28H2,(H,43,48)
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n/an/a 10n/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 V2 receptor


(Homo sapiens (Human))
BDBM50204026
PNG
(CHEMBL369150)
Show SMILES Oc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C28H24N2O3S/c31-25-18-20(28(33)30-16-7-6-12-26-24(30)15-17-34-26)13-14-23(25)29-27(32)22-11-5-4-10-21(22)19-8-2-1-3-9-19/h1-5,8-11,13-15,17-18,31H,6-7,12,16H2,(H,29,32)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]AVP as radioligand in CHO cells


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 V2 receptor


(Homo sapiens (Human))
BDBM50137949
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C38H42N4O4S/c1-40-20-10-21-41(24-23-40)36(43)16-9-25-46-34-27-29(38(45)42-22-8-7-15-35-33(42)19-26-47-35)17-18-32(34)39-37(44)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,17-19,26-27H,7-10,15-16,20-25H2,1H3,(H,39,44)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


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 V2 receptor


(Rattus norvegicus (Rat))
BDBM50137943
PNG
(Biphenyl-2-carboxylic acid (4-{8-[2-(4-methyl-pipe...)
Show SMILES CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc23)CC1
Show InChI InChI=1S/C34H37N5O2S/c1-36-19-21-37(22-20-36)23-24-38-17-7-18-39(31-16-25-42-34(31)38)33(41)27-12-14-28(15-13-27)35-32(40)30-11-6-5-10-29(30)26-8-3-2-4-9-26/h2-6,8-16,25H,7,17-24H2,1H3,(H,35,40)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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/V1b receptor


(Homo sapiens (Human))
BDBM50137956
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39-20-22-40(23-21-39)35(42)15-9-24-45-33-26-28(37(44)41-19-8-7-14-34-32(41)18-25-46-34)16-17-31(33)38-36(43)30-13-6-5-12-29(30)27-10-3-2-4-11-27/h2-6,10-13,16-18,25-26H,7-9,14-15,19-24H2,1H3,(H,38,43)
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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 V2 receptor


(Rattus norvegicus (Rat))
BDBM50137955
PNG
(Biphenyl-2-carboxylic acid [4-(8-dimethylamino-5,6...)
Show SMILES COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCC(N(C)C)c2sccc12
Show InChI InChI=1S/C31H31N3O3S/c1-33(2)26-14-9-18-34(27-17-19-38-29(26)27)31(36)22-15-16-25(28(20-22)37-3)32-30(35)24-13-8-7-12-23(24)21-10-5-4-6-11-21/h4-8,10-13,15-17,19-20,26H,9,14,18H2,1-3H3,(H,32,35)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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 V2 receptor


(Rattus norvegicus (Rat))
BDBM50204026
PNG
(CHEMBL369150)
Show SMILES Oc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C28H24N2O3S/c31-25-18-20(28(33)30-16-7-6-12-26-24(30)15-17-34-26)13-14-23(25)29-27(32)22-11-5-4-10-21(22)19-8-2-1-3-9-19/h1-5,8-11,13-15,17-18,31H,6-7,12,16H2,(H,29,32)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as radioligand in rat adrenal medulla


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 V2 receptor


(Rattus norvegicus (Rat))
BDBM50137941
PNG
(Biphenyl-2-carboxylic acid {4-[8-(2-pyrrolidin-1-y...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCN2CCCC2)c2sccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C33H34N4O2S/c38-31(29-12-5-4-11-28(29)25-9-2-1-3-10-25)34-27-15-13-26(14-16-27)32(39)37-21-8-20-36(33-30(37)17-24-40-33)23-22-35-18-6-7-19-35/h1-5,9-17,24H,6-8,18-23H2,(H,34,38)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50110994
PNG
(4-[2-Methyl-4-(5-methyl-thiophen-2-yl)-oxazol-5-yl...)
Show SMILES Cc1ccc(s1)-c1nc(C)oc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N2O3S2/c1-9-3-8-13(21-9)14-15(20-10(2)17-14)11-4-6-12(7-5-11)22(16,18)19/h3-8H,1-2H3,(H2,16,18,19)
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n/an/a 12n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified Prostaglandin G/H synthase 2


J Med Chem 45: 1511-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H995XZ
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(RAT)
BDBM50137949
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C38H42N4O4S/c1-40-20-10-21-41(24-23-40)36(43)16-9-25-46-34-27-29(38(45)42-22-8-7-15-35-33(42)19-26-47-35)17-18-32(34)39-37(44)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,17-19,26-27H,7-10,15-16,20-25H2,1H3,(H,39,44)
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n/an/a 20n/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 rat liver


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 V2 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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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


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/V1b receptor


(RAT)
BDBM50137956
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39-20-22-40(23-21-39)35(42)15-9-24-45-33-26-28(37(44)41-19-8-7-14-34-32(41)18-25-46-34)16-17-31(33)38-36(43)30-13-6-5-12-29(30)27-10-3-2-4-11-27/h2-6,10-13,16-18,25-26H,7-9,14-15,19-24H2,1H3,(H,38,43)
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n/an/a 20n/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 rat liver


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 V2 receptor


(Homo sapiens (Human))
BDBM50137955
PNG
(Biphenyl-2-carboxylic acid [4-(8-dimethylamino-5,6...)
Show SMILES COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCC(N(C)C)c2sccc12
Show InChI InChI=1S/C31H31N3O3S/c1-33(2)26-14-9-18-34(27-17-19-38-29(26)27)31(36)22-15-16-25(28(20-22)37-3)32-30(35)24-13-8-7-12-23(24)21-10-5-4-6-11-21/h4-8,10-13,15-17,19-20,26H,9,14,18H2,1-3H3,(H,32,35)
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n/an/a 20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50107530
PNG
(4-[4-(5-Chloro-thiophen-2-yl)-2-methyl-oxazol-5-yl...)
Show SMILES Cc1nc(-c2ccc(Cl)s2)c(o1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H11ClN2O3S2/c1-8-17-13(11-6-7-12(15)21-11)14(20-8)9-2-4-10(5-3-9)22(16,18)19/h2-7H,1H3,(H2,16,18,19)
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n/an/a 20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound towards human recombinant Prostaglandin G/H synthase 2 enzyme


Bioorg Med Chem Lett 12: 65-8 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q1V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50137942
PNG
(Biphenyl-2-carboxylic acid [2-(4-[1,4']bipiperidin...)
Show SMILES O=C(CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C42H48N4O4S/c47-40(45-26-20-33(21-27-45)44-23-8-2-9-24-44)17-11-28-50-38-30-32(42(49)46-25-10-7-16-39-37(46)22-29-51-39)18-19-36(38)43-41(48)35-15-6-5-14-34(35)31-12-3-1-4-13-31/h1,3-6,12-15,18-19,22,29-30,33H,2,7-11,16-17,20-21,23-28H2,(H,43,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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/V1b receptor


(RAT)
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 20n/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 rat liver


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/V1b receptor


(RAT)
BDBM50137946
PNG
(Biphenyl-2-carboxylic acid [2-[2-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39(2)28-17-21-40(22-18-28)35(42)25-45-33-24-27(37(44)41-20-9-8-14-34-32(41)19-23-46-34)15-16-31(33)38-36(43)30-13-7-6-12-29(30)26-10-4-3-5-11-26/h3-7,10-13,15-16,19,23-24,28H,8-9,14,17-18,20-22,25H2,1-2H3,(H,38,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


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/V1b receptor


(RAT)
BDBM50137942
PNG
(Biphenyl-2-carboxylic acid [2-(4-[1,4']bipiperidin...)
Show SMILES O=C(CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C42H48N4O4S/c47-40(45-26-20-33(21-27-45)44-23-8-2-9-24-44)17-11-28-50-38-30-32(42(49)46-25-10-7-16-39-37(46)22-29-51-39)18-19-36(38)43-41(48)35-15-6-5-14-34(35)31-12-3-1-4-13-31/h1,3-6,12-15,18-19,22,29-30,33H,2,7-11,16-17,20-21,23-28H2,(H,43,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


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


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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50107528
PNG
(4-[4-(4-Fluoro-phenyl)-2-methyl-oxazol-5-yl]-benze...)
Show SMILES Cc1nc(c(o1)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O3S/c1-10-19-15(11-2-6-13(17)7-3-11)16(22-10)12-4-8-14(9-5-12)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
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n/an/a 20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified Prostaglandin G/H synthase 2


J Med Chem 45: 1511-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H995XZ
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50137954
PNG
(Biphenyl-2-carboxylic acid {4-[8-(2-dimethylamino-...)
Show SMILES CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc12
Show InChI InChI=1S/C31H32N4O2S/c1-33(2)20-21-34-18-8-19-35(28-17-22-38-31(28)34)30(37)24-13-15-25(16-14-24)32-29(36)27-12-7-6-11-26(27)23-9-4-3-5-10-23/h3-7,9-17,22H,8,18-21H2,1-2H3,(H,32,36)
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n/an/a 20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50107528
PNG
(4-[4-(4-Fluoro-phenyl)-2-methyl-oxazol-5-yl]-benze...)
Show SMILES Cc1nc(c(o1)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O3S/c1-10-19-15(11-2-6-13(17)7-3-11)16(22-10)12-4-8-14(9-5-12)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
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n/an/a 24n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound towards human recombinant Prostaglandin G/H synthase 2 enzyme


Bioorg Med Chem Lett 12: 65-8 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q1V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50110998
PNG
(2-Fluoro-4-[2-methyl-4-(5-methyl-thiophen-2-yl)-ox...)
Show SMILES Cc1ccc(s1)-c1nc(C)oc1-c1ccc(c(F)c1)S(N)(=O)=O
Show InChI InChI=1S/C15H13FN2O3S2/c1-8-3-5-12(22-8)14-15(21-9(2)18-14)10-4-6-13(11(16)7-10)23(17,19)20/h3-7H,1-2H3,(H2,17,19,20)
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n/an/a 26n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified Prostaglandin G/H synthase 2


J Med Chem 45: 1511-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H995XZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50107522
PNG
(4-(5-Chloro-thiophen-2-yl)-5-(4-methanesulfonyl-ph...)
Show SMILES Cc1nc(-c2ccc(Cl)s2)c(o1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C15H12ClNO3S2/c1-9-17-14(12-7-8-13(16)21-12)15(20-9)10-3-5-11(6-4-10)22(2,18)19/h3-8H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound towards human recombinant Prostaglandin G/H synthase 2 enzyme


Bioorg Med Chem Lett 12: 65-8 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q1V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50137950
PNG
(Biphenyl-2-carboxylic acid [4-(8-pyridin-3-ylmethy...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCN(Cc2cccnc2)c2sccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C33H28N4O2S/c38-31(29-12-5-4-11-28(29)25-9-2-1-3-10-25)35-27-15-13-26(14-16-27)32(39)37-20-7-19-36(33-30(37)17-21-40-33)23-24-8-6-18-34-22-24/h1-6,8-18,21-22H,7,19-20,23H2,(H,35,38)
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n/an/a 30n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


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 V2 receptor


(Homo sapiens (Human))
BDBM50137942
PNG
(Biphenyl-2-carboxylic acid [2-(4-[1,4']bipiperidin...)
Show SMILES O=C(CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C42H48N4O4S/c47-40(45-26-20-33(21-27-45)44-23-8-2-9-24-44)17-11-28-50-38-30-32(42(49)46-25-10-7-16-39-37(46)22-29-51-39)18-19-36(38)43-41(48)35-15-6-5-14-34(35)31-12-3-1-4-13-31/h1,3-6,12-15,18-19,22,29-30,33H,2,7-11,16-17,20-21,23-28H2,(H,43,48)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50111000
PNG
(2-Fluoro-4-[4-(4-fluoro-phenyl)-2-methyl-oxazol-5-...)
Show SMILES Cc1nc(c(o1)-c1ccc(c(F)c1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H12F2N2O3S/c1-9-20-15(10-2-5-12(17)6-3-10)16(23-9)11-4-7-14(13(18)8-11)24(19,21)22/h2-8H,1H3,(H2,19,21,22)
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n/an/a 40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified Prostaglandin G/H synthase 2


J Med Chem 45: 1511-7 (2002)


BindingDB Entry DOI: 10.7270/Q2H995XZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50107526
PNG
(5-(4-Methanesulfonyl-phenyl)-2-methyl-4-(5-methyl-...)
Show SMILES Cc1ccc(s1)-c1nc(C)oc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15NO3S2/c1-10-4-9-14(21-10)15-16(20-11(2)17-15)12-5-7-13(8-6-12)22(3,18)19/h4-9H,1-3H3
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound towards human recombinant Prostaglandin G/H synthase 2 enzyme


Bioorg Med Chem Lett 12: 65-8 (2001)


BindingDB Entry DOI: 10.7270/Q24F1Q1V
More data for this
Ligand-Target Pair
Vasopressin V1a/V1b receptor


(Homo sapiens (Human))
BDBM50137946
PNG
(Biphenyl-2-carboxylic acid [2-[2-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39(2)28-17-21-40(22-18-28)35(42)25-45-33-24-27(37(44)41-20-9-8-14-34-32(41)19-23-46-34)15-16-31(33)38-36(43)30-13-7-6-12-29(30)26-10-4-3-5-11-26/h3-7,10-13,15-16,19,23-24,28H,8-9,14,17-18,20-22,25H2,1-2H3,(H,38,43)
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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
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