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PubMed code 7473590

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
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 V1a receptor


(RAT)		BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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 3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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 4.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from human

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)		BDBM50029646
PNG
(1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3
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 5.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)		BDBM50029643
PNG
(1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzo...)
Show SMILES CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H35N3O5/c1-21(33)31-16-5-4-7-24(31)15-19-36-26-11-9-22(10-12-26)28(34)30-17-13-25(14-18-30)32-27-8-3-2-6-23(27)20-37-29(32)35/h2-3,6,8-12,24-25H,4-5,7,13-20H2,1H3
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 15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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 19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from rats

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50029646
PNG
(1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3
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 24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from human

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)		BDBM50029647
PNG
(1-{1-[4-(1-Acetyl-piperidin-3-ylmethoxy)-benzoyl]-...)
Show SMILES CC(=O)N1CCCC(COc2ccc(cc2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1
Show InChI InChI=1S/C28H33N3O5/c1-20(32)30-14-4-5-21(17-30)18-35-25-10-8-22(9-11-25)27(33)29-15-12-24(13-16-29)31-26-7-3-2-6-23(26)19-36-28(31)34/h2-3,6-11,21,24H,4-5,12-19H2,1H3
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 24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)		BDBM50029648
PNG
(CHEMBL143304 | N-(3-{4-[4-(2-Oxo-4H-benzo[d][1,3]o...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C25H29N3O5/c1-18(29)26-13-4-16-32-22-9-7-19(8-10-22)24(30)27-14-11-21(12-15-27)28-23-6-3-2-5-20(23)17-33-25(28)31/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,29)
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 31n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver.

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)		BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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 32n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver.

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50029646
PNG
(1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3
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 69n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from rats

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50029648
PNG
(CHEMBL143304 | N-(3-{4-[4-(2-Oxo-4H-benzo[d][1,3]o...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C25H29N3O5/c1-18(29)26-13-4-16-32-22-9-7-19(8-10-22)24(30)27-14-11-21(12-15-27)28-23-6-3-2-5-20(23)17-33-25(28)31/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,29)
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 130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from human ...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50029643
PNG
(1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzo...)
Show SMILES CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H35N3O5/c1-21(33)31-16-5-4-7-24(31)15-19-36-26-11-9-22(10-12-26)28(34)30-17-13-25(14-18-30)32-27-8-3-2-6-23(27)20-37-29(32)35/h2-3,6,8-12,24-25H,4-5,7,13-20H2,1H3
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 130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from rats

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50029643
PNG
(1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzo...)
Show SMILES CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H35N3O5/c1-21(33)31-16-5-4-7-24(31)15-19-36-26-11-9-22(10-12-26)28(34)30-17-13-25(14-18-30)32-27-8-3-2-6-23(27)20-37-29(32)35/h2-3,6,8-12,24-25H,4-5,7,13-20H2,1H3
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 150n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from human

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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 170n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from human ...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50029647
PNG
(1-{1-[4-(1-Acetyl-piperidin-3-ylmethoxy)-benzoyl]-...)
Show SMILES CC(=O)N1CCCC(COc2ccc(cc2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1
Show InChI InChI=1S/C28H33N3O5/c1-20(32)30-14-4-5-21(17-30)18-35-25-10-8-22(9-11-25)27(33)29-15-12-24(13-16-29)31-26-7-3-2-6-23(26)19-36-28(31)34/h2-3,6-11,21,24H,4-5,12-19H2,1H3
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 200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from human

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50029648
PNG
(CHEMBL143304 | N-(3-{4-[4-(2-Oxo-4H-benzo[d][1,3]o...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C25H29N3O5/c1-18(29)26-13-4-16-32-22-9-7-19(8-10-22)24(30)27-14-11-21(12-15-27)28-23-6-3-2-5-20(23)17-33-25(28)31/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,29)
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 200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from rats

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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 230n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from rats

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50029647
PNG
(1-{1-[4-(1-Acetyl-piperidin-3-ylmethoxy)-benzoyl]-...)
Show SMILES CC(=O)N1CCCC(COc2ccc(cc2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1
Show InChI InChI=1S/C28H33N3O5/c1-20(32)30-14-4-5-21(17-30)18-35-25-10-8-22(9-11-25)27(33)29-15-12-24(13-16-29)31-26-7-3-2-6-23(26)19-36-28(31)34/h2-3,6-11,21,24H,4-5,12-19H2,1H3
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 340n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from rats

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)		BDBM50029645
PNG
(CHEMBL143341 | N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-qu...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)NCc2ccccc12
Show InChI InChI=1S/C25H30N4O4/c1-18(30)26-13-4-16-33-22-9-7-19(8-10-22)24(31)28-14-11-21(12-15-28)29-23-6-3-2-5-20(23)17-27-25(29)32/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,30)(H,27,32)
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver.

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50029645
PNG
(CHEMBL143341 | N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-qu...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)NCc2ccccc12
Show InChI InChI=1S/C25H30N4O4/c1-18(30)26-13-4-16-33-22-9-7-19(8-10-22)24(31)28-14-11-21(12-15-28)29-23-6-3-2-5-20(23)17-27-25(29)32/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,30)(H,27,32)
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 2.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from human ...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50029645
PNG
(CHEMBL143341 | N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-qu...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)NCc2ccccc12
Show InChI InChI=1S/C25H30N4O4/c1-18(30)26-13-4-16-33-22-9-7-19(8-10-22)24(31)28-14-11-21(12-15-28)29-23-6-3-2-5-20(23)17-27-25(29)32/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,30)(H,27,32)
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 2.40E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from rats

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50029645
PNG
(CHEMBL143341 | N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-qu...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)NCc2ccccc12
Show InChI InChI=1S/C25H30N4O4/c1-18(30)26-13-4-16-33-22-9-7-19(8-10-22)24(31)28-14-11-21(12-15-28)29-23-6-3-2-5-20(23)17-27-25(29)32/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,30)(H,27,32)
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>3.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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 3.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in human platelets

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50029647
PNG
(1-{1-[4-(1-Acetyl-piperidin-3-ylmethoxy)-benzoyl]-...)
Show SMILES CC(=O)N1CCCC(COc2ccc(cc2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1
Show InChI InChI=1S/C28H33N3O5/c1-20(32)30-14-4-5-21(17-30)18-35-25-10-8-22(9-11-25)27(33)29-15-12-24(13-16-29)31-26-7-3-2-6-23(26)19-36-28(31)34/h2-3,6-11,21,24H,4-5,12-19H2,1H3
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 1.10E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50029643
PNG
(1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzo...)
Show SMILES CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H35N3O5/c1-21(33)31-16-5-4-7-24(31)15-19-36-26-11-9-22(10-12-26)28(34)30-17-13-25(14-18-30)32-27-8-3-2-6-23(27)20-37-29(32)35/h2-3,6,8-12,24-25H,4-5,7,13-20H2,1H3
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 1.10E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50029646
PNG
(1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3
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 1.20E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in human platelets

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50029643
PNG
(1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzo...)
Show SMILES CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H35N3O5/c1-21(33)31-16-5-4-7-24(31)15-19-36-26-11-9-22(10-12-26)28(34)30-17-13-25(14-18-30)32-27-8-3-2-6-23(27)20-37-29(32)35/h2-3,6,8-12,24-25H,4-5,7,13-20H2,1H3
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 2.20E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in human platelets

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50029648
PNG
(CHEMBL143304 | N-(3-{4-[4-(2-Oxo-4H-benzo[d][1,3]o...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C25H29N3O5/c1-18(29)26-13-4-16-32-22-9-7-19(8-10-22)24(30)27-14-11-21(12-15-27)28-23-6-3-2-5-20(23)17-33-25(28)31/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,29)
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 3.50E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50029646
PNG
(1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3
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 3.50E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50029648
PNG
(CHEMBL143304 | N-(3-{4-[4-(2-Oxo-4H-benzo[d][1,3]o...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C25H29N3O5/c1-18(29)26-13-4-16-32-22-9-7-19(8-10-22)24(30)27-14-11-21(12-15-27)28-23-6-3-2-5-20(23)17-33-25(28)31/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,29)
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 3.60E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in human platelets.

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50029649
PNG
(1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzo...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C28H33N3O6/c1-19(32)29-15-11-22(12-16-29)37-23-7-8-24(26(17-23)35-2)27(33)30-13-9-21(10-14-30)31-25-6-4-3-5-20(25)18-36-28(31)34/h3-8,17,21-22H,9-16,18H2,1-2H3
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 3.70E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50029647
PNG
(1-{1-[4-(1-Acetyl-piperidin-3-ylmethoxy)-benzoyl]-...)
Show SMILES CC(=O)N1CCCC(COc2ccc(cc2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1
Show InChI InChI=1S/C28H33N3O5/c1-20(32)30-14-4-5-21(17-30)18-35-25-10-8-22(9-11-25)27(33)29-15-12-24(13-16-29)31-26-7-3-2-6-23(26)19-36-28(31)34/h2-3,6-11,21,24H,4-5,12-19H2,1H3
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 3.80E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in human platelets

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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 5.20E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in human platelets.

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50029645
PNG
(CHEMBL143341 | N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-qu...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)NCc2ccccc12
Show InChI InChI=1S/C25H30N4O4/c1-18(30)26-13-4-16-33-22-9-7-19(8-10-22)24(31)28-14-11-21(12-15-28)29-23-6-3-2-5-20(23)17-27-25(29)32/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,30)(H,27,32)
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 6.20E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in human platelets.

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50029644
PNG
(CHEMBL296908 | N-(3-(4-(4-(2-oxo-3,4-dihydroquinol...)
Show SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Show InChI InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
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>8.10E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...

J Med Chem 38: 4634-6 (1995)


BindingDB Entry DOI: 10.7270/Q2ZW1JXC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%