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Compile Data Set for Download or QSAR

Found 825 hits of ic50 data for polymerid = 326,4332   
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 V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146577
PNG
(CHEMBL102311 | spirobenzoxazines analogues)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12
Show InChI InChI=1S/C30H30N2O3/c1-35-27-12-6-4-10-25(27)28(33)31-24-15-13-22(14-16-24)29(34)32-20-19-30(17-7-2-8-18-30)21-23-9-3-5-11-26(23)32/h3-7,9-17H,2,8,18-21H2,1H3,(H,31,33)
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n/an/a 0.200n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against [3H]-AVP binding to cloned human vasopressin receptor


Bioorg Med Chem Lett 14: 2987-9 (2004)

More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065118
PNG
(CHEMBL311931 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c1C
Show InChI InChI=1S/C28H24ClN3O2/c1-18-7-5-10-23(19(18)2)27(33)30-21-12-13-24(25(29)15-21)28(34)32-17-22-9-6-14-31(22)16-20-8-3-4-11-26(20)32/h3-15H,16-17H2,1-2H3,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065123
PNG
(CHEMBL420031 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C26H18Cl2FN3O2/c27-22-12-17(29)7-9-20(22)25(33)30-18-8-10-21(23(28)13-18)26(34)32-15-19-5-3-11-31(19)14-16-4-1-2-6-24(16)32/h1-13H,14-15H2,(H,30,33)
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n/an/a 0.700n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50078646
PNG
(CHEMBL49322 | N-[4-(4,10-Dihydro-1-thia-9-aza-benz...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2sccc2Cc2ccccc12
Show InChI InChI=1S/C27H22N2O2S/c1-18-6-2-4-8-23(18)26(30)28-22-12-10-19(11-13-22)27(31)29-17-25-21(14-15-32-25)16-20-7-3-5-9-24(20)29/h2-15H,16-17H2,1H3,(H,28,30)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-AVP binding to human V2 receptor from murine fibroblast cell line (LV2)


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50094076
PNG
(CHEMBL434654 | N-[4-(7-Chloro-2,3,4,5-tetrahydro-b...)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C27H27ClN2O3/c1-18-7-3-4-9-25(18)33-17-26(31)29-22-11-12-23(19(2)15-22)27(32)30-14-6-5-8-20-16-21(28)10-13-24(20)30/h3-4,7,9-13,15-16H,5-6,8,14,17H2,1-2H3,(H,29,31)
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n/an/a 0.950n/an/an/an/an/an/a



Otsuka Pharmaceutical Company

Curated by ChEMBL


Assay Description
Concentration of the compound which inhibit [3H]-AVP binding to human Vasopressin V2 receptor coded HeLa cells by 50%


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to human V2 receptor


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

More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50078656
PNG
(CHEMBL46295 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H21FN4O2/c1-17-21(8-4-9-22(17)27)25(32)29-24-12-11-18(14-28-24)26(33)31-16-20-7-5-13-30(20)15-19-6-2-3-10-23(19)31/h2-14H,15-16H2,1H3,(H,28,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065121
PNG
(CHEMBL310416 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H22ClN3O2/c1-18-7-2-4-10-22(18)26(32)29-20-12-13-23(24(28)15-20)27(33)31-17-21-9-6-14-30(21)16-19-8-3-5-11-25(19)31/h2-15H,16-17H2,1H3,(H,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

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)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM190302
PNG
(US9180120, 6)
Show SMILES NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl
Show InChI InChI=1S/C23H22Cl2F3N5O5/c24-15-7-5-13(6-8-15)20-31-33(22(37)32(20)10-18(34)23(26,27)28)11-19(35)30-9-14(12-38-21(29)36)16-3-1-2-4-17(16)25/h1-8,14,18,34H,9-12H2,(H2,29,36)(H,30,35)/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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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)

More data for this
Ligand-Target Pair
Vasopressin 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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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)

More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50125101
PNG
(Biphenyl-2-carboxylic acid [4-(1,3,4,5-tetrahydro-...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C31H25N3O2/c35-30(26-12-5-4-11-25(26)21-8-2-1-3-9-21)33-24-17-15-22(16-18-24)31(36)34-19-7-10-23-20-32-27-13-6-14-28(34)29(23)27/h1-6,8-9,11-18,20,32H,7,10,19H2,(H,33,35)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity towards V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50078652
PNG
(CHEMBL301788 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(cn2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H18ClFN4O2/c26-21-12-18(27)8-9-20(21)24(32)29-23-10-7-16(13-28-23)25(33)31-15-19-5-3-11-30(19)14-17-4-1-2-6-22(17)31/h1-13H,14-15H2,(H,28,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-AVP binding to human V2 receptor from murine fibroblast cell line (LV2)


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50087550
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(5,6,7,8-te...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C28H23ClN2O2S/c29-24-18-20(30-27(32)22-11-5-4-10-21(22)19-8-2-1-3-9-19)13-14-23(24)28(33)31-16-7-6-12-26-25(31)15-17-34-26/h1-5,8-11,13-15,17-18H,6-7,12,16H2,(H,30,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed in mouse LV2 cells


Bioorg Med Chem Lett 17: 5796-800 (2007)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50087670
PNG
(Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-methy...)
Show SMILES CN1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1
Show InChI InChI=1S/C38H36ClN5O2/c1-41-19-21-42(22-20-41)25-30-16-17-31-26-44(36-14-8-5-11-28(36)24-43(30)31)38(46)34-18-15-29(23-35(34)39)40-37(45)33-13-7-6-12-32(33)27-9-3-2-4-10-27/h2-18,23H,19-22,24-26H2,1H3,(H,40,45)
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n/an/a 1.30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM192452
PNG
(US9187466, 50 | US9687476, 50)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3F)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H17ClF4N6O2/c22-14-7-5-12(6-8-14)19-30-32(20(34)31(19)10-16(33)21(24,25)26)11-18-27-17(28-29-18)9-13-3-1-2-4-15(13)23/h1-8,16,33H,9-11H2,(H,27,28,29)/t16-/m0/s1
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n/an/a 1.40n/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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM192452
PNG
(US9187466, 50 | US9687476, 50)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3F)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H17ClF4N6O2/c22-14-7-5-12(6-8-14)19-30-32(20(34)31(19)10-16(33)21(24,25)26)11-18-27-17(28-29-18)9-13-3-1-2-4-15(13)23/h1-8,16,33H,9-11H2,(H,27,28,29)/t16-/m0/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50087541
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)
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n/an/a 1.5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065124
PNG
(CHEMBL68085 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22FN3O2/c1-18-8-11-21(28)15-24(18)26(32)29-22-12-9-19(10-13-22)27(33)31-17-23-6-4-14-30(23)16-20-5-2-3-7-25(20)31/h2-15H,16-17H2,1H3,(H,29,32)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50065124
PNG
(CHEMBL68085 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22FN3O2/c1-18-8-11-21(28)15-24(18)26(32)29-22-12-9-19(10-13-22)27(33)31-17-23-6-4-14-30(23)16-20-5-2-3-7-25(20)31/h2-15H,16-17H2,1H3,(H,29,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM192451
PNG
(US9187466, 49 | US9687476, 49)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H17Cl2F3N6O2/c22-14-7-5-12(6-8-14)19-30-32(20(34)31(19)10-16(33)21(24,25)26)11-18-27-17(28-29-18)9-13-3-1-2-4-15(13)23/h1-8,16,33H,9-11H2,(H,27,28,29)/t16-/m0/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM192451
PNG
(US9187466, 49 | US9687476, 49)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H17Cl2F3N6O2/c22-14-7-5-12(6-8-14)19-30-32(20(34)31(19)10-16(33)21(24,25)26)11-18-27-17(28-29-18)9-13-3-1-2-4-15(13)23/h1-8,16,33H,9-11H2,(H,27,28,29)/t16-/m0/s1
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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50078660
PNG
(CHEMBL299532 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Brc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H19BrN4O2/c26-21-9-3-2-8-20(21)24(31)28-23-12-11-17(14-27-23)25(32)30-16-19-7-5-13-29(19)15-18-6-1-4-10-22(18)30/h1-14H,15-16H2,(H,27,28,31)
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n/an/a 1.60n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50087551
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(4,5-dihydr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCc2c[nH]nc2-c2sccc12
Show InChI InChI=1S/C29H21ClN4O2S/c30-24-16-20(32-28(35)22-9-5-4-8-21(22)18-6-2-1-3-7-18)10-11-23(24)29(36)34-14-12-19-17-31-33-26(19)27-25(34)13-15-37-27/h1-11,13,15-17H,12,14H2,(H,31,33)(H,32,35)
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n/an/a 1.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50078651
PNG
(CHEMBL300963 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H19ClN4O2/c26-21-9-3-2-8-20(21)24(31)28-23-12-11-17(14-27-23)25(32)30-16-19-7-5-13-29(19)15-18-6-1-4-10-22(18)30/h1-14H,15-16H2,(H,27,28,31)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of P[3H]-AVP from isolated rat kidney medullary V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065111
PNG
(CHEMBL80029 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-21(8-4-9-24(17)29)26(33)30-19-11-12-22(23(28)14-19)27(34)32-16-20-7-5-13-31(20)15-18-6-2-3-10-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 1.90n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065112
PNG
(CHEMBL81269 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H21Cl2N3O3/c1-35-25-13-17(8-11-23(25)30-26(33)21-10-9-19(28)14-22(21)29)27(34)32-16-20-6-4-12-31(20)15-18-5-2-3-7-24(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 1.90n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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 2n/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)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM192449
PNG
(US9187466, 32 | US9687476, 32)
Show SMILES OC(=O)c1cccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H19Cl3N6O3/c27-18-9-7-16(8-10-18)24-33-35(26(38)34(24)13-15-3-1-4-17(11-15)25(36)37)14-23-30-22(31-32-23)12-19-20(28)5-2-6-21(19)29/h1-11H,12-14H2,(H,36,37)(H,30,31,32)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50087664
PNG
(Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-dimet...)
Show SMILES CN(C)C1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1
Show InChI InChI=1S/C40H40ClN5O2/c1-43(2)31-20-22-44(23-21-31)26-32-17-18-33-27-46(38-15-9-6-12-29(38)25-45(32)33)40(48)36-19-16-30(24-37(36)41)42-39(47)35-14-8-7-13-34(35)28-10-4-3-5-11-28/h3-19,24,31H,20-23,25-27H2,1-2H3,(H,42,47)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065129
PNG
(CHEMBL312036 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C28H24FN3O3/c1-18-9-10-20(29)14-24(18)27(33)30-21-11-12-23(26(15-21)35-2)28(34)32-17-22-7-5-13-31(22)16-19-6-3-4-8-25(19)32/h3-15H,16-17H2,1-2H3,(H,30,33)
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Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065125
PNG
(CHEMBL311230 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C26H18Cl3N3O2/c27-17-7-9-20(22(28)12-17)25(33)30-18-8-10-21(23(29)13-18)26(34)32-15-19-5-3-11-31(19)14-16-4-1-2-6-24(16)32/h1-13H,14-15H2,(H,30,33)
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n/an/a 2n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM192449
PNG
(US9187466, 32 | US9687476, 32)
Show SMILES OC(=O)c1cccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H19Cl3N6O3/c27-18-9-7-16(8-10-18)24-33-35(26(38)34(24)13-15-3-1-4-17(11-15)25(36)37)14-23-30-22(31-32-23)12-19-20(28)5-2-6-21(19)29/h1-11H,12-14H2,(H,36,37)(H,30,31,32)
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US Patent
n/an/a 2n/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...


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50087675
PNG
(Biphenyl-2-carboxylic acid [4-(3-[1,4']bipiperidin...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCC(CC3)N3CCCCC3)n2Cc2ccccc12
Show InChI InChI=1S/C43H44ClN5O2/c44-40-27-33(45-42(50)38-15-7-6-14-37(38)31-11-3-1-4-12-31)17-20-39(40)43(51)49-30-36-19-18-35(48(36)28-32-13-5-8-16-41(32)49)29-46-25-21-34(22-26-46)47-23-9-2-10-24-47/h1,3-8,11-20,27,34H,2,9-10,21-26,28-30H2,(H,45,50)
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n/an/a 2.10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50065128
PNG
(CHEMBL81133 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(C)c1
Show InChI InChI=1S/C28H24FN3O2/c1-18-9-10-21(29)15-25(18)27(33)30-22-11-12-24(19(2)14-22)28(34)32-17-23-7-5-13-31(23)16-20-6-3-4-8-26(20)32/h3-15H,16-17H2,1-2H3,(H,30,33)
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n/an/a 2.10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from vasopressin V2 receptor of rat kidney medulla.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50087552
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H25N3O2/c36-31(29-14-6-5-13-28(29)23-9-2-1-3-10-23)33-26-18-16-24(17-19-26)32(37)35-22-27-12-8-20-34(27)21-25-11-4-7-15-30(25)35/h1-20H,21-22H2,(H,33,36)
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n/an/a 2.60n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50087674
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(3-{[(2-dim...)
Show SMILES CN(C)CCN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
Show InChI InChI=1S/C38H38ClN5O2/c1-41(2)21-22-42(3)25-30-18-19-31-26-44(36-16-10-7-13-28(36)24-43(30)31)38(46)34-20-17-29(23-35(34)39)40-37(45)33-15-9-8-14-32(33)27-11-5-4-6-12-27/h4-20,23H,21-22,24-26H2,1-3H3,(H,40,45)
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n/an/a 2.60n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50087541
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)
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n/an/a 2.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
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