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Compile Data Set for Download or QSAR

Found 254 hits of ic50 data for polymerid = 49001077,49001080   
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
AVPR1A


(RAT)
BDBM50129464
PNG
(CHEMBL71355 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Brc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H20BrN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(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 3.40n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(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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n/an/a 6n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(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 7n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129469
PNG
(CHEMBL304060 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES CSc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O2S/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(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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n/an/a 9n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065120
PNG
(CHEMBL302709 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H20ClN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065120
PNG
(CHEMBL302709 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H20ClN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
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n/an/a 10n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(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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n/an/a 11n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(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 16n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129472
PNG
(CHEMBL70949 | N-[4-(5,11-Dihydro-dibenzo[b,e][1,4]...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2Nc2ccccc12
Show InChI InChI=1S/C28H23N3O2/c1-19-8-2-4-10-23(19)27(32)29-22-16-14-20(15-17-22)28(33)31-18-21-9-3-5-11-24(21)30-25-12-6-7-13-26(25)31/h2-17,30H,18H2,1H3,(H,29,32)
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(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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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078654
PNG
(CHEMBL297990 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H22N4O2/c1-18-7-2-4-10-22(18)25(31)28-24-13-12-19(15-27-24)26(32)30-17-21-9-6-14-29(21)16-20-8-3-5-11-23(20)30/h2-15H,16-17H2,1H3,(H,27,28,31)
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n/an/a 21n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of (Phe-3,4,5 [3H]-) AVP binding towards isolated rat hepatic Vasopressin V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)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 23n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)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 23n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065110
PNG
(CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)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 23n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065130
PNG
(CHEMBL71305 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)23-9-3-2-8-22(23)25(34)31-20-13-11-18(12-14-20)26(35)33-17-21-7-5-15-32(21)16-19-6-1-4-10-24(19)33/h1-15H,16-17H2,(H,31,34)
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n/an/a 26n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065119
PNG
(CHEMBL70981 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22FN3O2/c1-18-23(8-4-9-24(18)28)26(32)29-21-13-11-19(12-14-21)27(33)31-17-22-7-5-15-30(22)16-20-6-2-3-10-25(20)31/h2-15H,16-17H2,1H3,(H,29,32)
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n/an/a 26n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065130
PNG
(CHEMBL71305 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)23-9-3-2-8-22(23)25(34)31-20-13-11-18(12-14-20)26(35)33-17-21-7-5-15-32(21)16-19-6-1-4-10-24(19)33/h1-15H,16-17H2,(H,31,34)
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n/an/a 26n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065119
PNG
(CHEMBL70981 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22FN3O2/c1-18-23(8-4-9-24(18)28)26(32)29-21-13-11-19(12-14-21)27(33)31-17-22-7-5-15-30(22)16-20-6-2-3-10-25(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 hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129463
PNG
(CHEMBL71282 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Clc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c1Cl
Show InChI InChI=1S/C26H19Cl2N3O2/c27-22-8-3-7-21(24(22)28)25(32)29-19-12-10-17(11-13-19)26(33)31-16-20-6-4-14-30(20)15-18-5-1-2-9-23(18)31/h1-14H,15-16H2,(H,29,32)
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n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078659
PNG
(Biphenyl-2-carboxylic acid [5-(5H,11H-benzo[e]pyrr...)
Show SMILES O=C(Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C31H24N4O2/c36-30(27-14-6-5-13-26(27)22-9-2-1-3-10-22)33-29-17-16-23(19-32-29)31(37)35-21-25-12-8-18-34(25)20-24-11-4-7-15-28(24)35/h1-19H,20-21H2,(H,32,33,36)
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n/an/a 30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065126
PNG
(CHEMBL73286 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O3/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 31n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065126
PNG
(CHEMBL73286 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O3/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 31n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065117
PNG
(CHEMBL304956 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c1C
Show InChI InChI=1S/C28H25N3O2/c1-19-7-5-10-25(20(19)2)27(32)29-23-14-12-21(13-15-23)28(33)31-18-24-9-6-16-30(24)17-22-8-3-4-11-26(22)31/h3-16H,17-18H2,1-2H3,(H,29,32)
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n/an/a 31n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078663
PNG
(CHEMBL300946 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H21FN4O2/c1-17-8-10-20(27)13-22(17)25(32)29-24-11-9-18(14-28-24)26(33)31-16-21-6-4-12-30(21)15-19-5-2-3-7-23(19)31/h2-14H,15-16H2,1H3,(H,28,29,32)
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n/an/a 33n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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 33n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards vasopressin V1a receptor in rat


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

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065113
PNG
(CHEMBL310581 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES COc1cc(Cl)ccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H22ClN3O3/c1-34-25-15-20(28)10-13-23(25)26(32)29-21-11-8-18(9-12-21)27(33)31-17-22-6-4-14-30(22)16-19-5-2-3-7-24(19)31/h2-15H,16-17H2,1H3,(H,29,32)
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n/an/a 33n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065131
PNG
(CHEMBL82376 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H21Cl2N3O2/c1-17-13-18(8-11-24(17)30-26(33)22-10-9-20(28)14-23(22)29)27(34)32-16-21-6-4-12-31(21)15-19-5-2-3-7-25(19)32/h2-14H,15-16H2,1H3,(H,30,33)
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n/an/a 33n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065127
PNG
(CHEMBL71797 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O2/c1-19-7-2-4-10-24(19)26(31)28-22-14-12-20(13-15-22)27(32)30-18-23-9-6-16-29(23)17-21-8-3-5-11-25(21)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 38n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50065127
PNG
(CHEMBL71797 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C27H23N3O2/c1-19-7-2-4-10-24(19)26(31)28-22-14-12-20(13-15-22)27(32)30-18-23-9-6-16-29(23)17-21-8-3-5-11-25(21)30/h2-16H,17-18H2,1H3,(H,28,31)
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n/an/a 38n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078655
PNG
(CHEMBL49824 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H18ClFN4O2/c26-19-7-3-8-20(27)23(19)24(32)29-22-11-10-16(13-28-22)25(33)31-15-18-6-4-12-30(18)14-17-5-1-2-9-21(17)31/h1-13H,14-15H2,(H,28,29,32)
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n/an/a 40n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50052909
PNG
(2-Chloro-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C24H21ClN2O2/c25-21-10-3-2-9-20(21)23(28)26-19-14-12-18(13-15-19)24(29)27-16-6-5-8-17-7-1-4-11-22(17)27/h1-4,7,9-15H,5-6,8,16H2,(H,26,28)
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n/an/a 45n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from AVP-V1a receptor binding site in rat liver


J Med Chem 39: 3547-55 (1996)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129465
PNG
(CHEMBL309096 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES CCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C28H25N3O3/c1-2-34-26-12-6-4-10-24(26)27(32)29-22-15-13-20(14-16-22)28(33)31-19-23-9-7-17-30(23)18-21-8-3-5-11-25(21)31/h3-17H,2,18-19H2,1H3,(H,29,32)
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n/an/a 45n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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 45n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
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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n/an/a 54n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5-H) Vasopressin from V1a recptor from rat liver membranes.


J Med Chem 41: 2442-4 (1998)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129466
PNG
(CHEMBL442743 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H20FN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)
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n/an/a 56n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129476
PNG
(2-Methyl-N-[4-(6H-phenanthridine-5-carbonyl)-pheny...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2-c2ccccc12
Show InChI InChI=1S/C28H22N2O2/c1-19-8-2-4-10-23(19)27(31)29-22-16-14-20(15-17-22)28(32)30-18-21-9-3-5-11-24(21)25-12-6-7-13-26(25)30/h2-17H,18H2,1H3,(H,29,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50052954
PNG
(2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)
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n/an/a 56n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from AVP-V1a receptor binding site in rat liver


J Med Chem 39: 3547-55 (1996)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078645
PNG
(CHEMBL296814 | N-[5-(4,10-Dihydro-1-thia-9-aza-ben...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2sccc2Cc2ccccc12
Show InChI InChI=1S/C26H20FN3O2S/c1-16-6-8-20(27)13-21(16)25(31)29-24-9-7-19(14-28-24)26(32)30-15-23-18(10-11-33-23)12-17-4-2-3-5-22(17)30/h2-11,13-14H,12,15H2,1H3,(H,28,29,31)
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n/an/a 59n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]- AVP binding to rat V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50045167
PNG
(1-{1-[4-(8-Amino-octyloxy)-benzoyl]-piperidin-4-yl...)
Show SMILES NCCCCCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C29H39N3O3/c30-19-7-3-1-2-4-8-22-35-26-14-11-24(12-15-26)29(34)31-20-17-25(18-21-31)32-27-10-6-5-9-23(27)13-16-28(32)33/h5-6,9-12,14-15,25H,1-4,7-8,13,16-22,30H2
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n/an/a 68n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Ability to displace [3H]- Arginine Vasopressin (AVP) from its specific binding sites in rat liver (V1 receptor)


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078661
PNG
(CHEMBL300433 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(Br)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H18BrClN4O2/c26-18-8-9-21(27)20(12-18)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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n/an/a 82n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(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 82n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129467
PNG
(CHEMBL72342 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...)
Show SMILES Oc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H21N3O3/c30-24-10-4-2-8-22(24)25(31)27-20-13-11-18(12-14-20)26(32)29-17-21-7-5-15-28(21)16-19-6-1-3-9-23(19)29/h1-15,30H,16-17H2,(H,27,31)
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n/an/a 85n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129468
PNG
(CHEMBL302955 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C26H19Cl2N3O2/c27-21-7-3-8-22(28)24(21)25(32)29-19-12-10-17(11-13-19)26(33)31-16-20-6-4-14-30(20)15-18-5-1-2-9-23(18)31/h1-14H,15-16H2,(H,29,32)
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n/an/a 94n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50052928
PNG
(CHEMBL333201 | N-[4-(2,3,4,5-Tetrahydro-benzo[b]az...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H22N2O2/c27-23(19-10-2-1-3-11-19)25-21-15-13-20(14-16-21)24(28)26-17-7-6-9-18-8-4-5-12-22(18)26/h1-5,8,10-16H,6-7,9,17H2,(H,25,27)
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n/an/a 95n/an/an/an/an/an/a



Otsuka Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from AVP-V1a receptor binding site in rat liver


J Med Chem 39: 3547-55 (1996)

More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50129460
PNG
(CHEMBL308741 | N-[4-(6,7-Dihydro-dibenzo[b,d]azepi...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2ccccc2-c2ccccc12
Show InChI InChI=1S/C29H24N2O2/c1-20-8-2-4-10-24(20)28(32)30-23-16-14-22(15-17-23)29(33)31-19-18-21-9-3-5-11-25(21)26-12-6-7-13-27(26)31/h2-17H,18-19H2,1H3,(H,30,32)
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n/an/a 98n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078650
PNG
(CHEMBL51645 | N-[5-(3-Dimethylaminomethyl-5H,11H-b...)
Show SMILES CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4cc(F)ccc4C)nc3)c3ccccc3Cn12
Show InChI InChI=1S/C29H28FN5O2/c1-19-8-10-22(30)14-25(19)28(36)32-27-13-9-20(15-31-27)29(37)35-18-24-12-11-23(17-33(2)3)34(24)16-21-6-4-5-7-26(21)35/h4-15H,16-18H2,1-3H3,(H,31,32,36)
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n/an/a 99n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50078665
PNG
(CHEMBL298911 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...)
Show SMILES Clc1ccc(Cl)c(c1)C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C25H18Cl2N4O2/c26-18-8-9-21(27)20(12-18)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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n/an/a 100n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
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