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Compile Data Set for Download or QSAR

Found 238 hits with Last Name = 'frantz' and Initial = 'mc'   
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


(Homo sapiens (Human))
BDBM50459408
PNG
(CHEMBL3307200)
Show SMILES Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N1CCC(F)(F)\C(=C/C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-
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0.300n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(RAT)
BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
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0.480n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from V1A receptor in Wistar rat liver membranes incubated for 60 mins by microplate scintillation counting method


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50307117
PNG
(CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)
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0.570n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


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


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50307117
PNG
(CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)
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0.570n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459401
PNG
(CHEMBL4210854)
Show SMILES O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21NO/c25-23(24-17-7-6-11-20-10-4-5-12-22(20)24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
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2.30n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50307117
PNG
(CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)
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2.70n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50307117
PNG
(CHEMBL603708 | N-(4-(2,3,4,5-tetrahydro-1H-benzo[b...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C30H26N2O2/c33-29(27-15-6-5-14-26(27)22-10-2-1-3-11-22)31-25-19-17-24(18-20-25)30(34)32-21-9-8-13-23-12-4-7-16-28(23)32/h1-7,10-12,14-20H,8-9,13,21H2,(H,31,33)
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2.74n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
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3n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from V2 receptor in Wistar rat kidney membranes incubated for 60 mins by microplate scintillation counting method


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50307120
PNG
(5-[4-[(1,1'-Biphenyl-2-ylcarbonyl)amino]-3-methylb...)
Show SMILES Cc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H27N5O2/c1-21-18-23(32(39)37-20-24-19-33-36(2)30(24)34-28-14-8-9-15-29(28)37)16-17-27(21)35-31(38)26-13-7-6-12-25(26)22-10-4-3-5-11-22/h3-19,34H,20H2,1-2H3,(H,35,38)
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6.40n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


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


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50094081
PNG
((4-Amino-phenyl)-(2,3,4,5-tetrahydro-benzo[b]azepi...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C17H18N2O/c18-15-10-8-14(9-11-15)17(20)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-2,5,7-11H,3-4,6,12,18H2
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459395
PNG
(CHEMBL4210158)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)c2ccccc12
Show InChI InChI=1S/C23H25ClN4O/c1-16-12-14-28(25-16)17-10-11-18(20(24)15-17)23(29)27-13-6-9-21(26(2)3)19-7-4-5-8-22(19)27/h4-5,7-8,10-12,14-15,21H,6,9,13H2,1-3H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459413
PNG
(CHEMBL4218739)
Show SMILES Brc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C17H16BrNO/c18-15-10-8-14(9-11-15)17(20)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-2,5,7-11H,3-4,6,12H2
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459410
PNG
(CHEMBL4209421)
Show SMILES Clc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C17H16ClNO/c18-15-10-8-14(9-11-15)17(20)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-2,5,7-11H,3-4,6,12H2
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459412
PNG
(CHEMBL4207413)
Show SMILES C[N+](C)(C)c1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C20H25N2O/c1-22(2,3)18-13-11-17(12-14-18)20(23)21-15-7-6-9-16-8-4-5-10-19(16)21/h4-5,8,10-14H,6-7,9,15H2,1-3H3/q+1
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459407
PNG
(CHEMBL4204008)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(O)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-14-10-12-25(23-14)15-8-9-16(18(22)13-15)21(27)24-11-4-7-20(26)17-5-2-3-6-19(17)24/h2-3,5-6,8-10,12-13,20,26H,4,7,11H2,1H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459396
PNG
(CHEMBL4209266)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCCCC2)c(Cl)c1
Show InChI InChI=1S/C17H20ClN3O/c1-13-8-11-21(19-13)14-6-7-15(16(18)12-14)17(22)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50459396
PNG
(CHEMBL4209266)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCCCC2)c(Cl)c1
Show InChI InChI=1S/C17H20ClN3O/c1-13-8-11-21(19-13)14-6-7-15(16(18)12-14)17(22)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459394
PNG
(CHEMBL4215258)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(=O)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H18ClN3O2/c1-14-10-12-25(23-14)15-8-9-16(18(22)13-15)21(27)24-11-4-7-20(26)17-5-2-3-6-19(17)24/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459392
PNG
(CHEMBL4216873)
Show SMILES Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCCC(=O)c2ccccc12
Show InChI InChI=1S/C21H19N3O2/c1-15-12-14-24(22-15)17-10-8-16(9-11-17)21(26)23-13-4-7-20(25)18-5-2-3-6-19(18)23/h2-3,5-6,8-12,14H,4,7,13H2,1H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459401
PNG
(CHEMBL4210854)
Show SMILES O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H21NO/c25-23(24-17-7-6-11-20-10-4-5-12-22(20)24)21-15-13-19(14-16-21)18-8-2-1-3-9-18/h1-5,8-10,12-16H,6-7,11,17H2
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10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459396
PNG
(CHEMBL4209266)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCCCC2)c(Cl)c1
Show InChI InChI=1S/C17H20ClN3O/c1-13-8-11-21(19-13)14-6-7-15(16(18)12-14)17(22)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459394
PNG
(CHEMBL4215258)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(=O)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H18ClN3O2/c1-14-10-12-25(23-14)15-8-9-16(18(22)13-15)21(27)24-11-4-7-20(26)17-5-2-3-6-19(17)24/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459392
PNG
(CHEMBL4216873)
Show SMILES Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCCC(=O)c2ccccc12
Show InChI InChI=1S/C21H19N3O2/c1-15-12-14-24(22-15)17-10-8-16(9-11-17)21(26)23-13-4-7-20(25)18-5-2-3-6-19(18)23/h2-3,5-6,8-12,14H,4,7,13H2,1H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50459394
PNG
(CHEMBL4215258)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(=O)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C21H18ClN3O2/c1-14-10-12-25(23-14)15-8-9-16(18(22)13-15)21(27)24-11-4-7-20(26)17-5-2-3-6-19(17)24/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3
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<10n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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13n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of DY647 from SNAP-tagged V1A receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50307118
PNG
(5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
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17n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50307118
PNG
(5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
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17n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cells


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50307119
PNG
(1-Methyl-5-[3-methyl-4-(3-methyl-1H-pyrazol-1-yl)b...)
Show SMILES Cc1ccn(n1)-c1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C23H22N6O/c1-15-12-17(8-9-20(15)29-11-10-16(2)26-29)23(30)28-14-18-13-24-27(3)22(18)25-19-6-4-5-7-21(19)28/h4-13,25H,14H2,1-3H3
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18n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50307118
PNG
(5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
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27n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50307118
PNG
(5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
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27n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50307119
PNG
(1-Methyl-5-[3-methyl-4-(3-methyl-1H-pyrazol-1-yl)b...)
Show SMILES Cc1ccn(n1)-c1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C23H22N6O/c1-15-12-17(8-9-20(15)29-11-10-16(2)26-29)23(30)28-14-18-13-24-27(3)22(18)25-19-6-4-5-7-21(19)28/h4-13,25H,14H2,1-3H3
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27.8n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cells


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459409
PNG
(CHEMBL4218211)
Show SMILES CCCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-2-3-8-17-12-14-19(15-13-17)21(23)22-16-7-6-10-18-9-4-5-11-20(18)22/h4-5,9,11-15H,2-3,6-8,10,16H2,1H3
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28n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50307118
PNG
(5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
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29n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50307118
PNG
(5-[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H19ClN6O/c1-14-9-10-29(26-14)16-7-8-17(18(23)11-16)22(30)28-13-15-12-24-27(2)21(15)25-19-5-3-4-6-20(19)28/h3-12,25H,13H2,1-2H3
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29n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


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


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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31n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of DY647 from SNAP-tagged OTR receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459415
PNG
(CHEMBL4206233)
Show SMILES Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C21H21N3O/c1-16-13-15-24(22-16)19-11-9-18(10-12-19)21(25)23-14-5-4-7-17-6-2-3-8-20(17)23/h2-3,6,8-13,15H,4-5,7,14H2,1H3
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34n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50307120
PNG
(5-[4-[(1,1'-Biphenyl-2-ylcarbonyl)amino]-3-methylb...)
Show SMILES Cc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H27N5O2/c1-21-18-23(32(39)37-20-24-19-33-36(2)30(24)34-28-14-8-9-15-29(28)37)16-17-27(21)35-31(38)26-13-7-6-12-25(26)22-10-4-3-5-11-22/h3-19,34H,20H2,1-2H3,(H,35,38)
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37n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cells


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459409
PNG
(CHEMBL4218211)
Show SMILES CCCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-2-3-8-17-12-14-19(15-13-17)21(23)22-16-7-6-10-18-9-4-5-11-20(18)22/h4-5,9,11-15H,2-3,6-8,10,16H2,1H3
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37n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human OXR receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50459404
PNG
(CHEMBL4205046)
Show SMILES Cc1ccn(n1)C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C22H21ClN4O2/c1-15-11-13-27(25-15)22(29)24-17-9-10-18(19(23)14-17)21(28)26-12-5-4-7-16-6-2-3-8-20(16)26/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3,(H,24,29)
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38n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
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40n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Binding affinity to V2 receptor (unknown origin)


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM85095
PNG
(CAS_151171 | CONIVAPTAN | NSC_151171 | YM087)
Show SMILES Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Show InChI InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
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44n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from OTR in Wistar rat uterus membranes incubated for 60 mins by microplate scintillation counting method


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459406
PNG
(CHEMBL4213812)
Show SMILES Ic1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C17H16INO/c18-15-10-8-14(9-11-15)17(20)19-12-4-3-6-13-5-1-2-7-16(13)19/h1-2,5,7-11H,3-4,6,12H2
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48n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
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50n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50177593
PNG
((5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C23H19ClN4O/c1-16-10-12-28(25-16)18-8-9-20(21(24)13-18)23(29)27-15-19-6-4-11-26(19)14-17-5-2-3-7-22(17)27/h2-13H,14-15H2,1H3
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50n/an/an/an/an/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


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


J Med Chem 53: 1546-62 (2010)


Article DOI: 10.1021/jm901084f
BindingDB Entry DOI: 10.7270/Q2FX7BD4
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50459409
PNG
(CHEMBL4218211)
Show SMILES CCCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C21H25NO/c1-2-3-8-17-12-14-19(15-13-17)21(23)22-16-7-6-10-18-9-4-5-11-20(18)22/h4-5,9,11-15H,2-3,6-8,10,16H2,1H3
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52n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V2 receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50139178
PNG
(CHEMBL3763342)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)
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58n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [Tyrosyl-2,6-3H]oxytocin from recombinant human OTR expressed in CHO-DUKX-A2 cells incubated for 180 mins by scintillation counting b...


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459400
PNG
(CHEMBL4217872)
Show SMILES CN(C)C(=S)CNC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C25H29N7O2S/c1-16-11-17(9-10-18(16)12-26-25(34)27-14-22(35)30(2)3)24(33)32-15-19-13-28-31(4)23(19)29-20-7-5-6-8-21(20)32/h5-11,13,29H,12,14-15H2,1-4H3,(H2,26,27,34)
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61n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of DY647 from SNAP-tagged OTR receptor (unknown origin) expressed in HEK293 cells by TR-FRET assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459411
PNG
(CHEMBL4206482)
Show SMILES CCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C20H23NO/c1-2-7-16-11-13-18(14-12-16)20(22)21-15-6-5-9-17-8-3-4-10-19(17)21/h3-4,8,10-14H,2,5-7,9,15H2,1H3
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63n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50459405
PNG
(CHEMBL4205970)
Show SMILES O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C22H20N2O/c25-22(24-15-4-3-7-18-6-1-2-9-21(18)24)19-12-10-17(11-13-19)20-8-5-14-23-16-20/h1-2,5-6,8-14,16H,3-4,7,15H2
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67n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human V1A receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50459408
PNG
(CHEMBL3307200)
Show SMILES Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N1CCC(F)(F)\C(=C/C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
Show InChI InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-
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71n/an/an/an/an/an/an/an/a



UMR7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]-oxytocin from OTR receptor in human USMC cell membranes


J Med Chem 61: 8670-8692 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF
More data for this
Ligand-Target Pair
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