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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50039043   
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 V2 receptor (V2)


(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 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 (V2)


(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


(HEK293)
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
Oxytocin receptor


(HEK293)
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 V2 receptor (V2)


(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
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
Vasopressin V2 receptor (V2)


(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
Oxytocin receptor


(HEK293)
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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109n/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
Oxytocin receptor


(HEK293)
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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111n/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
Oxytocin receptor


(HEK293)
BDBM50152974
PNG
((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
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147n/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))
BDBM50307115
PNG
(CHEMBL602871 | N-{2-Methyl-4-[(1-methyl-4,10-dihyd...)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCCC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C25H28N6O2/c1-17-13-18(9-10-19(17)14-26-25(33)30-11-5-6-12-30)24(32)31-16-20-15-27-29(2)23(20)28-21-7-3-4-8-22(21)31/h3-4,7-10,13,15,28H,5-6,11-12,14,16H2,1-2H3,(H,26,33)
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167n/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))
BDBM50307114
PNG
(CHEMBL603075 | N,N-Dimethyl-N'-{2-methyl-4-[(1-met...)
Show SMILES CN(C)C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C23H26N6O2/c1-15-11-16(9-10-17(15)12-24-23(31)27(2)3)22(30)29-14-18-13-25-28(4)21(18)26-19-7-5-6-8-20(19)29/h5-11,13,26H,12,14H2,1-4H3,(H,24,31)
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170n/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


(HEK293)
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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199n/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
Oxytocin receptor


(HEK293)
BDBM50307121
PNG
((2S)-N-{2-Methyl-4-[(4-(2-oxo-2H-3,1-benzoxazin-1(...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C34H44N6O4S/c1-24-21-25(31(41)37-17-12-28(13-18-37)40-29-8-4-3-7-27(29)23-44-34(40)43)10-11-26(24)22-35-33(42)39-16-5-9-30(39)32(45)38-15-6-14-36(2)19-20-38/h3-4,7-8,10-11,21,28,30H,5-6,9,12-20,22-23H2,1-2H3,(H,35,42)/t30-/m0/s1
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245n/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))
BDBM50152974
PNG
((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
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330n/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))
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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344n/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))
BDBM50307112
PNG
((2S)-N-[2-Methyl-4-(2,3,4,5-tetrahydro-1H-1-benzaz...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCNc2ccccc12
Show InChI InChI=1S/C30H40N6O2S/c1-22-20-23(28(37)35-17-6-13-31-25-8-3-4-9-26(25)35)11-12-24(22)21-32-30(38)36-16-5-10-27(36)29(39)34-15-7-14-33(2)18-19-34/h3-4,8-9,11-12,20,27,31H,5-7,10,13-19,21H2,1-2H3,(H,32,38)/t27-/m0/s1
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633n/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


(HEK293)
BDBM50307112
PNG
((2S)-N-[2-Methyl-4-(2,3,4,5-tetrahydro-1H-1-benzaz...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCNc2ccccc12
Show InChI InChI=1S/C30H40N6O2S/c1-22-20-23(28(37)35-17-6-13-31-25-8-3-4-9-26(25)35)11-12-24(22)21-32-30(38)36-16-5-10-27(36)29(39)34-15-7-14-33(2)18-19-34/h3-4,8-9,11-12,20,27,31H,5-7,10,13-19,21H2,1-2H3,(H,32,38)/t27-/m0/s1
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844n/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 V2 receptor (V2)


(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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913n/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


(HEK293)
BDBM50307115
PNG
(CHEMBL602871 | N-{2-Methyl-4-[(1-methyl-4,10-dihyd...)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCCC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C25H28N6O2/c1-17-13-18(9-10-19(17)14-26-25(33)30-11-5-6-12-30)24(32)31-16-20-15-27-29(2)23(20)28-21-7-3-4-8-22(21)31/h3-4,7-10,13,15,28H,5-6,11-12,14,16H2,1-2H3,(H,26,33)
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>1.00E+3n/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 V2 receptor (V2)


(Homo sapiens (Human))
BDBM50307115
PNG
(CHEMBL602871 | N-{2-Methyl-4-[(1-methyl-4,10-dihyd...)
Show SMILES Cc1cc(ccc1CNC(=O)N1CCCC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C25H28N6O2/c1-17-13-18(9-10-19(17)14-26-25(33)30-11-5-6-12-30)24(32)31-16-20-15-27-29(2)23(20)28-21-7-3-4-8-22(21)31/h3-4,7-10,13,15,28H,5-6,11-12,14,16H2,1-2H3,(H,26,33)
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>1.00E+3n/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 V1a receptor


(Homo sapiens (Human))
BDBM50307111
PNG
((2S)-N-[2-Methyl-4-(5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C33H40N6O2S/c1-24-20-25(31(40)39-23-28-9-5-15-37(28)22-27-8-3-4-10-29(27)39)12-13-26(24)21-34-33(41)38-17-6-11-30(38)32(42)36-16-7-14-35(2)18-19-36/h3-5,8-10,12-13,15,20,30H,6-7,11,14,16-19,21-23H2,1-2H3,(H,34,41)/t30-/m0/s1
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>1.00E+3n/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 (V2)


(Homo sapiens (Human))
BDBM50307114
PNG
(CHEMBL603075 | N,N-Dimethyl-N'-{2-methyl-4-[(1-met...)
Show SMILES CN(C)C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C23H26N6O2/c1-15-11-16(9-10-17(15)12-24-23(31)27(2)3)22(30)29-14-18-13-25-28(4)21(18)26-19-7-5-6-8-20(19)29/h5-11,13,26H,12,14H2,1-4H3,(H,24,31)
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>1.00E+3n/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 (V2)


(Homo sapiens (Human))
BDBM50307112
PNG
((2S)-N-[2-Methyl-4-(2,3,4,5-tetrahydro-1H-1-benzaz...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCNc2ccccc12
Show InChI InChI=1S/C30H40N6O2S/c1-22-20-23(28(37)35-17-6-13-31-25-8-3-4-9-26(25)35)11-12-24(22)21-32-30(38)36-16-5-10-27(36)29(39)34-15-7-14-33(2)18-19-34/h3-4,8-9,11-12,20,27,31H,5-7,10,13-19,21H2,1-2H3,(H,32,38)/t27-/m0/s1
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>1.00E+3n/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 (V2)


(Homo sapiens (Human))
BDBM50152974
PNG
((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
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>1.00E+3n/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


(HEK293)
BDBM50307111
PNG
((2S)-N-[2-Methyl-4-(5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C33H40N6O2S/c1-24-20-25(31(40)39-23-28-9-5-15-37(28)22-27-8-3-4-10-29(27)39)12-13-26(24)21-34-33(41)38-17-6-11-30(38)32(42)36-16-7-14-35(2)18-19-36/h3-5,8-10,12-13,15,20,30H,6-7,11,14,16-19,21-23H2,1-2H3,(H,34,41)/t30-/m0/s1
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2.50E+3n/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 V2 receptor (V2)


(Homo sapiens (Human))
BDBM50307111
PNG
((2S)-N-[2-Methyl-4-(5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C33H40N6O2S/c1-24-20-25(31(40)39-23-28-9-5-15-37(28)22-27-8-3-4-10-29(27)39)12-13-26(24)21-34-33(41)38-17-6-11-30(38)32(42)36-16-7-14-35(2)18-19-36/h3-5,8-10,12-13,15,20,30H,6-7,11,14,16-19,21-23H2,1-2H3,(H,34,41)/t30-/m0/s1
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3.40E+3n/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


(HEK293)
BDBM50307114
PNG
(CHEMBL603075 | N,N-Dimethyl-N'-{2-methyl-4-[(1-met...)
Show SMILES CN(C)C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C23H26N6O2/c1-15-11-16(9-10-17(15)12-24-23(31)27(2)3)22(30)29-14-18-13-25-28(4)21(18)26-19-7-5-6-8-20(19)29/h5-11,13,26H,12,14H2,1-4H3,(H,24,31)
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>5.00E+3n/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
Oxytocin receptor


(HEK293)
BDBM50307113
PNG
(CHEMBL603076 | N-{2-Methyl-4-[(1-methyl-4,10-dihyd...)
Show SMILES CC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C22H23N5O2/c1-14-10-16(8-9-17(14)11-23-15(2)28)22(29)27-13-18-12-24-26(3)21(18)25-19-6-4-5-7-20(19)27/h4-10,12,25H,11,13H2,1-3H3,(H,23,28)
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>5.00E+3n/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))
BDBM50307121
PNG
((2S)-N-{2-Methyl-4-[(4-(2-oxo-2H-3,1-benzoxazin-1(...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Show InChI InChI=1S/C34H44N6O4S/c1-24-21-25(31(41)37-17-12-28(13-18-37)40-29-8-4-3-7-27(29)23-44-34(40)43)10-11-26(24)22-35-33(42)39-16-5-9-30(39)32(45)38-15-6-14-36(2)19-20-38/h3-4,7-8,10-11,21,28,30H,5-6,9,12-20,22-23H2,1-2H3,(H,35,42)/t30-/m0/s1
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>5.00E+3n/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


(HEK293)
BDBM50307110
PNG
((2S)-N-[3-Chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H37ClN6O2S/c1-35-13-6-15-36(18-17-35)31(42)29-10-5-16-38(29)32(41)34-20-23-11-12-26(27(33)19-23)30(40)39-22-25-8-4-14-37(25)21-24-7-2-3-9-28(24)39/h2-4,7-9,11-12,14,19,29H,5-6,10,13,15-18,20-22H2,1H3,(H,34,41)/t29-/m0/s1
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>5.00E+3n/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 V2 receptor (V2)


(Homo sapiens (Human))
BDBM50307110
PNG
((2S)-N-[3-Chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H37ClN6O2S/c1-35-13-6-15-36(18-17-35)31(42)29-10-5-16-38(29)32(41)34-20-23-11-12-26(27(33)19-23)30(40)39-22-25-8-4-14-37(25)21-24-7-2-3-9-28(24)39/h2-4,7-9,11-12,14,19,29H,5-6,10,13,15-18,20-22H2,1H3,(H,34,41)/t29-/m0/s1
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>5.00E+3n/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 V1a receptor


(Homo sapiens (Human))
BDBM50307110
PNG
((2S)-N-[3-Chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H37ClN6O2S/c1-35-13-6-15-36(18-17-35)31(42)29-10-5-16-38(29)32(41)34-20-23-11-12-26(27(33)19-23)30(40)39-22-25-8-4-14-37(25)21-24-7-2-3-9-28(24)39/h2-4,7-9,11-12,14,19,29H,5-6,10,13,15-18,20-22H2,1H3,(H,34,41)/t29-/m0/s1
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>5.00E+3n/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))
BDBM50307113
PNG
(CHEMBL603076 | N-{2-Methyl-4-[(1-methyl-4,10-dihyd...)
Show SMILES CC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C22H23N5O2/c1-14-10-16(8-9-17(14)11-23-15(2)28)22(29)27-13-18-12-24-26(3)21(18)25-19-6-4-5-7-20(19)27/h4-10,12,25H,11,13H2,1-3H3,(H,23,28)
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>5.00E+3n/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 (V2)


(Homo sapiens (Human))
BDBM50152974
PNG
((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
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n/an/an/an/a 850n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human vasopressin V2 receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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 (V2)


(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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n/an/an/an/a 7.60n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human vasopressin V2 receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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


(HEK293)
BDBM50152974
PNG
((2S)-N-{2-Methyl-4-[(1-methyl-4,10-dihydropyrazolo...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Show InChI InChI=1S/C32H40N8O2S/c1-22-18-23(30(41)40-21-25-20-34-37(3)29(25)35-26-8-4-5-9-27(26)40)11-12-24(22)19-33-32(42)39-15-6-10-28(39)31(43)38-14-7-13-36(2)16-17-38/h4-5,8-9,11-12,18,20,28,35H,6-7,10,13-17,19,21H2,1-3H3,(H,33,42)/t28-/m0/s1
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n/an/an/an/a 33n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human oxytocin receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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 (V2)


(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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n/an/an/an/a 3.70E+4n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human vasopressin V2 receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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


(HEK293)
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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n/an/an/an/a 125n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human oxytocin receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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


(HEK293)
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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n/an/an/an/a 63n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human oxytocin receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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


(HEK293)
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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n/an/an/an/a 4.60n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human oxytocin receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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))
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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n/an/an/an/a 465n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human vasopressin V1a receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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))
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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n/an/an/an/a 3.20E+3n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human vasopressin V1a receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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))
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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n/an/an/an/a 14n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human vasopressin V1a receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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 (V2)


(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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n/an/an/an/a 39.9n/an/an/an/a



UMR 7200 CNRS/Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Activity at human vasopressin V2 receptor expressed in CHO cells by NFAT-luciferase gene reporter assay


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