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PubMed code 10340620

Compile data set for download or QSAR
Found 30 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
Oxytocin receptor


(RAT)		BDBM50077035
PNG
(1-(1-{2-[4-Morpholin-4-yl-2-(2,2,2-trifluoro-ethox...)
Show SMILES FC(F)(F)COc1cc(ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C27H30F3N3O5/c28-27(29,30)18-38-24-16-22(31-11-13-36-14-12-31)6-5-19(24)15-25(34)32-9-7-21(8-10-32)33-23-4-2-1-3-20(23)17-37-26(33)35/h1-6,16,21H,7-15,17-18H2
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 0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50077032
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C30H34F3N3O6/c1-20(37)34-14-10-24(11-15-34)42-25-7-6-21(27(17-25)41-19-30(31,32)33)16-28(38)35-12-8-23(9-13-35)36-26-5-3-2-4-22(26)18-40-29(36)39/h2-7,17,23-24H,8-16,18-19H2,1H3
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 0.710n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077035
PNG
(1-(1-{2-[4-Morpholin-4-yl-2-(2,2,2-trifluoro-ethox...)
Show SMILES FC(F)(F)COc1cc(ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C27H30F3N3O5/c28-27(29,30)18-38-24-16-22(31-11-13-36-14-12-31)6-5-19(24)15-25(34)32-9-7-21(8-10-32)33-23-4-2-1-3-20(23)17-37-26(33)35/h1-6,16,21H,7-15,17-18H2
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 0.860n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077041
PNG
(1-(1-{2-[4-(1-Cyclopropylmethyl-piperidin-4-yloxy)...)
Show SMILES FC(F)(F)COc1cc(OC2CCN(CC3CC3)CC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C32H38F3N3O5/c33-32(34,35)21-42-29-18-27(43-26-11-13-36(14-12-26)19-22-5-6-22)8-7-23(29)17-30(39)37-15-9-25(10-16-37)38-28-4-2-1-3-24(28)20-41-31(38)40/h1-4,7-8,18,22,25-26H,5-6,9-17,19-21H2
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 1n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50077041
PNG
(1-(1-{2-[4-(1-Cyclopropylmethyl-piperidin-4-yloxy)...)
Show SMILES FC(F)(F)COc1cc(OC2CCN(CC3CC3)CC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C32H38F3N3O5/c33-32(34,35)21-42-29-18-27(43-26-11-13-36(14-12-26)19-22-5-6-22)8-7-23(29)17-30(39)37-15-9-25(10-16-37)38-28-4-2-1-3-24(28)20-41-31(38)40/h1-4,7-8,18,22,25-26H,5-6,9-17,19-21H2
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 1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077037
PNG
(1-(1-{2-[4-(2-Morpholin-4-yl-ethoxy)-2-(2,2,2-trif...)
Show SMILES FC(F)(F)COc1cc(OCCN2CCOCC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H34F3N3O6/c30-29(31,32)20-41-26-18-24(39-16-13-33-11-14-38-15-12-33)6-5-21(26)17-27(36)34-9-7-23(8-10-34)35-25-4-2-1-3-22(25)19-40-28(35)37/h1-6,18,23H,7-17,19-20H2
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 1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077032
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C30H34F3N3O6/c1-20(37)34-14-10-24(11-15-34)42-25-7-6-21(27(17-25)41-19-30(31,32)33)16-28(38)35-12-8-23(9-13-35)36-26-5-3-2-4-22(26)18-40-29(36)39/h2-7,17,23-24H,8-16,18-19H2,1H3
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 1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)		BDBM50077032
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C30H34F3N3O6/c1-20(37)34-14-10-24(11-15-34)42-25-7-6-21(27(17-25)41-19-30(31,32)33)16-28(38)35-12-8-23(9-13-35)36-26-5-3-2-4-22(26)18-40-29(36)39/h2-7,17,23-24H,8-16,18-19H2,1H3
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 2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat liver Vasopressin V1a receptor by using functional assay

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50077037
PNG
(1-(1-{2-[4-(2-Morpholin-4-yl-ethoxy)-2-(2,2,2-trif...)
Show SMILES FC(F)(F)COc1cc(OCCN2CCOCC2)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H34F3N3O6/c30-29(31,32)20-41-26-18-24(39-16-13-33-11-14-38-15-12-33)6-5-21(26)17-27(36)34-9-7-23(8-10-34)35-25-4-2-1-3-22(25)19-40-28(35)37/h1-6,18,23H,7-17,19-20H2
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 2.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077039
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-trifluor...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC(F)(F)F)c1
Show InChI InChI=1S/C29H32F3N3O6/c1-19(36)33-14-10-23(11-15-33)40-24-7-6-20(26(17-24)41-29(30,31)32)16-27(37)34-12-8-22(9-13-34)35-25-5-3-2-4-21(25)18-39-28(35)38/h2-7,17,22-23H,8-16,18H2,1H3
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 2.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50077039
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-trifluor...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC(F)(F)F)c1
Show InChI InChI=1S/C29H32F3N3O6/c1-19(36)33-14-10-23(11-15-33)40-24-7-6-20(26(17-24)41-29(30,31)32)16-27(37)34-12-8-22(9-13-34)35-25-5-3-2-4-21(25)18-39-28(35)38/h2-7,17,22-23H,8-16,18H2,1H3
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 2.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077034
PNG
(1-(1-{2-[2-(2,2,2-Trifluoro-ethoxy)-phenyl]-acetyl...)
Show SMILES FC(F)(F)COc1ccccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C23H23F3N2O4/c24-23(25,26)15-32-20-8-4-2-5-16(20)13-21(29)27-11-9-18(10-12-27)28-19-7-3-1-6-17(19)14-31-22(28)30/h1-8,18H,9-15H2
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 4.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50077034
PNG
(1-(1-{2-[2-(2,2,2-Trifluoro-ethoxy)-phenyl]-acetyl...)
Show SMILES FC(F)(F)COc1ccccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C23H23F3N2O4/c24-23(25,26)15-32-20-8-4-2-5-16(20)13-21(29)27-11-9-18(10-12-27)28-19-7-3-1-6-17(19)14-31-22(28)30/h1-8,18H,9-15H2
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 6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
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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 9.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077040
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H35N3O6/c1-20(33)30-15-11-24(12-16-30)38-25-8-7-21(27(18-25)36-2)17-28(34)31-13-9-23(10-14-31)32-26-6-4-3-5-22(26)19-37-29(32)35/h3-8,18,23-24H,9-17,19H2,1-2H3
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 9.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
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 for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077038
PNG
(1-{1-[2-(2,4-Dimethoxy-phenyl)-acetyl]-piperidin-4...)
Show SMILES COc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H26N2O5/c1-28-19-8-7-16(21(14-19)29-2)13-22(26)24-11-9-18(10-12-24)25-20-6-4-3-5-17(20)15-30-23(25)27/h3-8,14,18H,9-13,15H2,1-2H3
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 33n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50077040
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-...)
Show SMILES COc1cc(OC2CCN(CC2)C(C)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C29H35N3O6/c1-20(33)30-15-11-24(12-16-30)38-25-8-7-21(27(18-25)36-2)17-28(34)31-13-9-23(10-14-31)32-26-6-4-3-5-22(26)19-37-29(32)35/h3-8,18,23-24H,9-17,19H2,1-2H3
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 36n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50077038
PNG
(1-{1-[2-(2,4-Dimethoxy-phenyl)-acetyl]-piperidin-4...)
Show SMILES COc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H26N2O5/c1-28-19-8-7-16(21(14-19)29-2)13-22(26)24-11-9-18(10-12-24)25-20-6-4-3-5-17(20)15-30-23(25)27/h3-8,14,18H,9-13,15H2,1-2H3
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 37n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50072368
PNG
(1-[1-(2,4-Dimethoxy-benzoyl)-piperidin-4-yl]-1,4-d...)
Show SMILES COc1ccc(C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1
Show InChI InChI=1S/C22H24N2O5/c1-27-17-7-8-18(20(13-17)28-2)21(25)23-11-9-16(10-12-23)24-19-6-4-3-5-15(19)14-29-22(24)26/h3-8,13,16H,9-12,14H2,1-2H3
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 87n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50072368
PNG
(1-[1-(2,4-Dimethoxy-benzoyl)-piperidin-4-yl]-1,4-d...)
Show SMILES COc1ccc(C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1
Show InChI InChI=1S/C22H24N2O5/c1-27-17-7-8-18(20(13-17)28-2)21(25)23-11-9-16(10-12-23)24-19-6-4-3-5-15(19)14-29-22(24)26/h3-8,13,16H,9-12,14H2,1-2H3
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 120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50077032
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C30H34F3N3O6/c1-20(37)34-14-10-24(11-15-34)42-25-7-6-21(27(17-25)41-19-30(31,32)33)16-28(38)35-12-8-23(9-13-35)36-26-5-3-2-4-22(26)18-40-29(36)39/h2-7,17,23-24H,8-16,18-19H2,1H3
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 130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Vasopressin V2 receptor by using functional assay

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))		BDBM50077032
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C30H34F3N3O6/c1-20(37)34-14-10-24(11-15-34)42-25-7-6-21(27(17-25)41-19-30(31,32)33)16-28(38)35-12-8-23(9-13-35)36-26-5-3-2-4-22(26)18-40-29(36)39/h2-7,17,23-24H,8-16,18-19H2,1H3
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 150n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat kidney Vasopressin V2 receptor by using functional assay

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077036
PNG
(1-{1-[3-(2,4-Dimethoxy-phenyl)-propionyl]-piperidi...)
Show SMILES COc1ccc(CCC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1
Show InChI InChI=1S/C24H28N2O5/c1-29-20-9-7-17(22(15-20)30-2)8-10-23(27)25-13-11-19(12-14-25)26-21-6-4-3-5-18(21)16-31-24(26)28/h3-7,9,15,19H,8,10-14,16H2,1-2H3
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 240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50077033
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-phenyl]-ac...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)cc1
Show InChI InChI=1S/C28H33N3O5/c1-20(32)29-16-12-25(13-17-29)36-24-8-6-21(7-9-24)18-27(33)30-14-10-23(11-15-30)31-26-5-3-2-4-22(26)19-35-28(31)34/h2-9,23,25H,10-19H2,1H3
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 390n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human oxytocin receptor

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50077036
PNG
(1-{1-[3-(2,4-Dimethoxy-phenyl)-propionyl]-piperidi...)
Show SMILES COc1ccc(CCC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1
Show InChI InChI=1S/C24H28N2O5/c1-29-20-9-7-17(22(15-20)30-2)8-10-23(27)25-13-11-19(12-14-25)26-21-6-4-3-5-18(21)16-31-24(26)28/h3-7,9,15,19H,8,10-14,16H2,1-2H3
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 520n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50077032
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-t...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C30H34F3N3O6/c1-20(37)34-14-10-24(11-15-34)42-25-7-6-21(27(17-25)41-19-30(31,32)33)16-28(38)35-12-8-23(9-13-35)36-26-5-3-2-4-22(26)18-40-29(36)39/h2-7,17,23-24H,8-16,18-19H2,1H3
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 740n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Vasopressin V1a receptor by using functional assay

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)		BDBM50077033
PNG
(1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-phenyl]-ac...)
Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)cc1
Show InChI InChI=1S/C28H33N3O5/c1-20(32)29-16-12-25(13-17-29)36-24-8-6-21(7-9-24)18-27(33)30-14-10-23(11-15-30)31-26-5-3-2-4-22(26)19-35-28(31)34/h2-9,23,25H,10-19H2,1H3
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 1.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat uterine oxytocin receptor (rOTr)

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
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 towards human Vasopressin V1a receptor by using functional assay

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
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 towards human kidney Vasopressin V2 receptor by using functional assay

Bioorg Med Chem Lett 9: 1311-6 (1999)


BindingDB Entry DOI: 10.7270/Q23N22K9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%