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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50032197   
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 V1b receptor


(Homo sapiens (Human))
BDBM50325847
PNG
(CHEMBL1223814 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C27H32N4O4/c32-25(28-18-20-7-8-20)19-31-26(21-5-2-1-3-6-21)29-24-10-9-22(17-23(24)27(31)33)35-14-4-11-30-12-15-34-16-13-30/h1-3,5-6,9-10,17,20H,4,7-8,11-16,18-19H2,(H,28,32)
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n/an/a 120n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325825
PNG
((S)-2-amino-N-((S)-1-(3-(2-(cyclopropylmethylamino...)
Show SMILES CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H41N5O5/c1-22(2)16-26(38-34(43)30(36)17-23-10-12-27(41)13-11-23)21-45-28-14-15-31-29(18-28)35(44)40(20-32(42)37-19-24-8-9-24)33(39-31)25-6-4-3-5-7-25/h3-7,10-15,18,22,24,26,30,41H,8-9,16-17,19-21,36H2,1-2H3,(H,37,42)(H,38,43)/t26-,30-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)
BDBM50325847
PNG
(CHEMBL1223814 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C27H32N4O4/c32-25(28-18-20-7-8-20)19-31-26(21-5-2-1-3-6-21)29-24-10-9-22(17-23(24)27(31)33)35-14-4-11-30-12-15-34-16-13-30/h1-3,5-6,9-10,17,20H,4,7-8,11-16,18-19H2,(H,28,32)
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n/an/a 210n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V3 receptor


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325842
PNG
(CHEMBL1223699 | N-(cyclopropylmethyl)-2-(4-oxo-2-p...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C28H34N4O3/c33-26(29-19-21-10-11-21)20-32-27(22-8-3-1-4-9-22)30-25-13-12-23(18-24(25)28(32)34)35-17-7-16-31-14-5-2-6-15-31/h1,3-4,8-9,12-13,18,21H,2,5-7,10-11,14-17,19-20H2,(H,29,33)
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n/an/a 310n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325844
PNG
(2-(6-(3-(azepan-1-yl)propoxy)-4-oxo-2-phenylquinaz...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCCCCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C29H36N4O3/c34-27(30-20-22-11-12-22)21-33-28(23-9-4-3-5-10-23)31-26-14-13-24(19-25(26)29(33)35)36-18-8-17-32-15-6-1-2-7-16-32/h3-5,9-10,13-14,19,22H,1-2,6-8,11-12,15-18,20-21H2,(H,30,34)
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n/an/a 340n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325845
PNG
(CHEMBL1223757 | N-(cyclopropylmethyl)-2-(6-(3-(4-m...)
Show SMILES COC1CCN(CCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1
Show InChI InChI=1S/C29H36N4O4/c1-36-23-12-15-32(16-13-23)14-5-17-37-24-10-11-26-25(18-24)29(35)33(20-27(34)30-19-21-8-9-21)28(31-26)22-6-3-2-4-7-22/h2-4,6-7,10-11,18,21,23H,5,8-9,12-17,19-20H2,1H3,(H,30,34)
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n/an/a 710n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325846
PNG
(CHEMBL1223758 | N-(cyclopropylmethyl)-2-(6-(3-(4-h...)
Show SMILES OC1CCN(CCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1
Show InChI InChI=1S/C28H34N4O4/c33-22-11-14-31(15-12-22)13-4-16-36-23-9-10-25-24(17-23)28(35)32(19-26(34)29-18-20-7-8-20)27(30-25)21-5-2-1-3-6-21/h1-3,5-6,9-10,17,20,22,33H,4,7-8,11-16,18-19H2,(H,29,34)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325837
PNG
(CHEMBL1223632 | N-(cyclopropylmethyl)-2-(6-(3-(4-m...)
Show SMILES CN1CCN(CCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1
Show InChI InChI=1S/C28H35N5O3/c1-31-13-15-32(16-14-31)12-5-17-36-23-10-11-25-24(18-23)28(35)33(20-26(34)29-19-21-8-9-21)27(30-25)22-6-3-2-4-7-22/h2-4,6-7,10-11,18,21H,5,8-9,12-17,19-20H2,1H3,(H,29,34)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325843
PNG
(CHEMBL1223755 | N-(cyclopropylmethyl)-2-(4-oxo-2-p...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C27H32N4O3/c32-25(28-18-20-9-10-20)19-31-26(21-7-2-1-3-8-21)29-24-12-11-22(17-23(24)27(31)33)34-16-6-15-30-13-4-5-14-30/h1-3,7-8,11-12,17,20H,4-6,9-10,13-16,18-19H2,(H,28,32)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325830
PNG
((S)-2-(6-(2-amino-4-methylpentyloxy)-4-oxo-2-pheny...)
Show SMILES CC(C)C[C@H](N)COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 |r|
Show InChI InChI=1S/C26H32N4O3/c1-17(2)12-20(27)16-33-21-10-11-23-22(13-21)26(32)30(15-24(31)28-14-18-8-9-18)25(29-23)19-6-4-3-5-7-19/h3-7,10-11,13,17-18,20H,8-9,12,14-16,27H2,1-2H3,(H,28,31)/t20-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325832
PNG
(2-(6-(3-aminopropoxy)-4-oxo-2-phenylquinazolin-3(4...)
Show SMILES NCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C23H26N4O3/c24-11-4-12-30-18-9-10-20-19(13-18)23(29)27(15-21(28)25-14-16-7-8-16)22(26-20)17-5-2-1-3-6-17/h1-3,5-6,9-10,13,16H,4,7-8,11-12,14-15,24H2,(H,25,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325841
PNG
(CHEMBL1223698 | N-(cyclopropylmethyl)-2-(6-(3-(die...)
Show SMILES CCN(CC)CCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C27H34N4O3/c1-3-30(4-2)15-8-16-34-22-13-14-24-23(17-22)27(33)31(19-25(32)28-18-20-11-12-20)26(29-24)21-9-6-5-7-10-21/h5-7,9-10,13-14,17,20H,3-4,8,11-12,15-16,18-19H2,1-2H3,(H,28,32)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325831
PNG
(2-(6-(2-aminoethoxy)-4-oxo-2-phenylquinazolin-3(4H...)
Show SMILES NCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C22H24N4O3/c23-10-11-29-17-8-9-19-18(12-17)22(28)26(14-20(27)24-13-15-6-7-15)21(25-19)16-4-2-1-3-5-16/h1-5,8-9,12,15H,6-7,10-11,13-14,23H2,(H,24,27)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325838
PNG
(CHEMBL1223633 | N-(cyclopropylmethyl)-2-(6-(4-(4-m...)
Show SMILES CN1CCN(CCCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1
Show InChI InChI=1S/C29H37N5O3/c1-32-14-16-33(17-15-32)13-5-6-18-37-24-11-12-26-25(19-24)29(36)34(21-27(35)30-20-22-9-10-22)28(31-26)23-7-3-2-4-8-23/h2-4,7-8,11-12,19,22H,5-6,9-10,13-18,20-21H2,1H3,(H,30,35)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325826
PNG
((S)-2-amino-N-(1-(3-(2-(cyclopropylmethylamino)-2-...)
Show SMILES CC(C)C[C@@H](COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1)NC(=O)CN |r|
Show InChI InChI=1S/C28H35N5O4/c1-18(2)12-21(31-25(34)14-29)17-37-22-10-11-24-23(13-22)28(36)33(16-26(35)30-15-19-8-9-19)27(32-24)20-6-4-3-5-7-20/h3-7,10-11,13,18-19,21H,8-9,12,14-17,29H2,1-2H3,(H,30,35)(H,31,34)/t21-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325840
PNG
(CHEMBL1223697 | N-(cyclopropylmethyl)-2-(6-(3-(met...)
Show SMILES CNCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C24H28N4O3/c1-25-12-5-13-31-19-10-11-21-20(14-19)24(30)28(16-22(29)26-15-17-8-9-17)23(27-21)18-6-3-2-4-7-18/h2-4,6-7,10-11,14,17,25H,5,8-9,12-13,15-16H2,1H3,(H,26,29)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325836
PNG
(CHEMBL1223631 | N-(cyclopropylmethyl)-2-(6-(2-(4-m...)
Show SMILES CN1CCN(CCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1
Show InChI InChI=1S/C27H33N5O3/c1-30-11-13-31(14-12-30)15-16-35-22-9-10-24-23(17-22)27(34)32(19-25(33)28-18-20-7-8-20)26(29-24)21-5-3-2-4-6-21/h2-6,9-10,17,20H,7-8,11-16,18-19H2,1H3,(H,28,33)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325839
PNG
(CHEMBL1223696 | N-(cyclopropylmethyl)-2-(4-oxo-2-p...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCNCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C27H33N5O3/c33-25(29-18-20-7-8-20)19-32-26(21-5-2-1-3-6-21)30-24-10-9-22(17-23(24)27(32)34)35-16-4-13-31-14-11-28-12-15-31/h1-3,5-6,9-10,17,20,28H,4,7-8,11-16,18-19H2,(H,29,33)
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n/an/a 2.58E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325834
PNG
(2-(6-(5-aminopentyloxy)-4-oxo-2-phenylquinazolin-3...)
Show SMILES NCCCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C25H30N4O3/c26-13-5-2-6-14-32-20-11-12-22-21(15-20)25(31)29(17-23(30)27-16-18-9-10-18)24(28-22)19-7-3-1-4-8-19/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13-14,16-17,26H2,(H,27,30)
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325833
PNG
(2-(6-(4-aminobutoxy)-4-oxo-2-phenylquinazolin-3(4H...)
Show SMILES NCCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C24H28N4O3/c25-12-4-5-13-31-19-10-11-21-20(14-19)24(30)28(16-22(29)26-15-17-8-9-17)23(27-21)18-6-2-1-3-7-18/h1-3,6-7,10-11,14,17H,4-5,8-9,12-13,15-16,25H2,(H,26,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325827
PNG
(2-amino-N-(2-(3-(2-(cyclopropylmethylamino)-2-oxoe...)
Show SMILES NCC(=O)NCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C24H27N5O4/c25-13-21(30)26-10-11-33-18-8-9-20-19(12-18)24(32)29(15-22(31)27-14-16-6-7-16)23(28-20)17-4-2-1-3-5-17/h1-5,8-9,12,16H,6-7,10-11,13-15,25H2,(H,26,30)(H,27,31)
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n/an/a 3.05E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM50325847
PNG
(CHEMBL1223814 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C27H32N4O4/c32-25(28-18-20-7-8-20)19-31-26(21-5-2-1-3-6-21)29-24-10-9-22(17-23(24)27(31)33)35-14-4-11-30-12-15-34-16-13-30/h1-3,5-6,9-10,17,20H,4,7-8,11-16,18-19H2,(H,28,32)
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))
BDBM50325847
PNG
(CHEMBL1223814 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C27H32N4O4/c32-25(28-18-20-7-8-20)19-31-26(21-5-2-1-3-6-21)29-24-10-9-22(17-23(24)27(31)33)35-14-4-11-30-12-15-34-16-13-30/h1-3,5-6,9-10,17,20H,4,7-8,11-16,18-19H2,(H,28,32)
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325828
PNG
(CHEMBL1224609 | N-(2-(3-(2-(cyclopropylmethylamino...)
Show SMILES Oc1ccc(CCC(=O)NCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)cc1
Show InChI InChI=1S/C31H32N4O5/c36-24-11-8-21(9-12-24)10-15-28(37)32-16-17-40-25-13-14-27-26(18-25)31(39)35(20-29(38)33-19-22-6-7-22)30(34-27)23-4-2-1-3-5-23/h1-5,8-9,11-14,18,22,36H,6-7,10,15-17,19-20H2,(H,32,37)(H,33,38)
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325835
PNG
(2-(6-(6-aminohexyloxy)-4-oxo-2-phenylquinazolin-3(...)
Show SMILES NCCCCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C26H32N4O3/c27-14-6-1-2-7-15-33-21-12-13-23-22(16-21)26(32)30(18-24(31)28-17-19-10-11-19)25(29-23)20-8-4-3-5-9-20/h3-5,8-9,12-13,16,19H,1-2,6-7,10-11,14-15,17-18,27H2,(H,28,31)
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50325829
PNG
(CHEMBL1224610 | N-(cyclopropylmethyl)-2-(6-hydroxy...)
Show SMILES Oc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c24-15-8-9-17-16(10-15)20(26)23(12-18(25)21-11-13-6-7-13)19(22-17)14-4-2-1-3-5-14/h1-5,8-10,13,24H,6-7,11-12H2,(H,21,25)
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopresin3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 5394-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.118
BindingDB Entry DOI: 10.7270/Q2222TZ5
More data for this
Ligand-Target Pair