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PubMed code 19900813

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35666
PNG
(BMC173130 Compound 1t | benzazepinelidene acetamid...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H23ClF2N4O3/c1-16-8-11-32(30-16)17-6-7-19(21(26)14-17)24(35)31-12-9-25(27,28)20(15-23(34)29-10-13-33)18-4-2-3-5-22(18)31/h2-8,11,14-15,33H,9-10,12-13H2,1H3,(H,29,34)/b20-15-
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PubMed
9.70 -45.4n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35669
PNG
(benzazepinelidene acetamide derivative, 1d)
Show SMILES C[C@@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1 |r|
Show InChI InChI=1S/C26H28ClF2N3O3/c1-17-8-11-31(16-17)18-6-7-20(22(27)14-18)25(35)32-12-9-26(28,29)21(15-24(34)30-10-13-33)19-4-2-3-5-23(19)32/h2-7,14-15,17,33H,8-13,16H2,1H3,(H,30,34)/b21-15-/t17-/m1/s1
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PubMed
13 -44.7n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35669
PNG
(benzazepinelidene acetamide derivative, 1d)
Show SMILES C[C@@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1 |r|
Show InChI InChI=1S/C26H28ClF2N3O3/c1-17-8-11-31(16-17)18-6-7-20(22(27)14-18)25(35)32-12-9-26(28,29)21(15-24(34)30-10-13-33)19-4-2-3-5-23(19)32/h2-7,14-15,17,33H,8-13,16H2,1H3,(H,30,34)/b21-15-/t17-/m1/s1
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13 -44.7n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35672
PNG
(benzazepinelidene acetamide derivative, 1g)
Show SMILES C[C@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F5N3O3/c1-17-8-11-34(16-17)18-6-7-20(22(14-18)27(30,31)32)25(38)35-12-9-26(28,29)21(15-24(37)33-10-13-36)19-4-2-3-5-23(19)35/h2-7,14-15,17,36H,8-13,16H2,1H3,(H,33,37)/b21-15-/t17-/m0/s1
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14 -44.5n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35671
PNG
(benzazepinelidene acetamide derivative, 1f)
Show SMILES C[C@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1 |r|
Show InChI InChI=1S/C26H28ClF2N3O3/c1-17-8-11-31(16-17)18-6-7-20(22(27)14-18)25(35)32-12-9-26(28,29)21(15-24(34)30-10-13-33)19-4-2-3-5-23(19)32/h2-7,14-15,17,33H,8-13,16H2,1H3,(H,30,34)/b21-15-/t17-/m0/s1
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14 -44.5n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35670
PNG
(benzazepinelidene acetamide derivative, 1e)
Show SMILES C[C@@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F5N3O3/c1-17-8-11-34(16-17)18-6-7-20(22(14-18)27(30,31)32)25(38)35-12-9-26(28,29)21(15-24(37)33-10-13-36)19-4-2-3-5-23(19)35/h2-7,14-15,17,36H,8-13,16H2,1H3,(H,33,37)/b21-15-/t17-/m1/s1
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PubMed
16 -44.2n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35671
PNG
(benzazepinelidene acetamide derivative, 1f)
Show SMILES C[C@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1 |r|
Show InChI InChI=1S/C26H28ClF2N3O3/c1-17-8-11-31(16-17)18-6-7-20(22(27)14-18)25(35)32-12-9-26(28,29)21(15-24(34)30-10-13-33)19-4-2-3-5-23(19)32/h2-7,14-15,17,33H,8-13,16H2,1H3,(H,30,34)/b21-15-/t17-/m0/s1
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PubMed
17 -44.0n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35666
PNG
(BMC173130 Compound 1t | benzazepinelidene acetamid...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H23ClF2N4O3/c1-16-8-11-32(30-16)17-6-7-19(21(26)14-17)24(35)31-12-9-25(27,28)20(15-23(34)29-10-13-33)18-4-2-3-5-22(18)31/h2-8,11,14-15,33H,9-10,12-13H2,1H3,(H,29,34)/b20-15-
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PubMed
28 -42.8n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35670
PNG
(benzazepinelidene acetamide derivative, 1e)
Show SMILES C[C@@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F5N3O3/c1-17-8-11-34(16-17)18-6-7-20(22(14-18)27(30,31)32)25(38)35-12-9-26(28,29)21(15-24(37)33-10-13-36)19-4-2-3-5-23(19)35/h2-7,14-15,17,36H,8-13,16H2,1H3,(H,33,37)/b21-15-/t17-/m1/s1
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39 -42.0n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35672
PNG
(benzazepinelidene acetamide derivative, 1g)
Show SMILES C[C@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F5N3O3/c1-17-8-11-34(16-17)18-6-7-20(22(14-18)27(30,31)32)25(38)35-12-9-26(28,29)21(15-24(37)33-10-13-36)19-4-2-3-5-23(19)35/h2-7,14-15,17,36H,8-13,16H2,1H3,(H,33,37)/b21-15-/t17-/m0/s1
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43 -41.8n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM35668
PNG
(benzazepinelidene acetamide derivative, 1c)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F5N4O3/c1-16-8-11-35(33-16)17-6-7-19(21(14-17)26(29,30)31)24(38)34-12-9-25(27,28)20(15-23(37)32-10-13-36)18-4-2-3-5-22(18)34/h2-8,11,14-15,36H,9-10,12-13H2,1H3,(H,32,37)/b20-15-
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78 -40.3n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
The affinities of test compounds for human V2 receptor were evaluated by the radioligand binding study using membrane fractions isolated from CHO cel...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35668
PNG
(benzazepinelidene acetamide derivative, 1c)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F5N4O3/c1-16-8-11-35(33-16)17-6-7-19(21(14-17)26(29,30)31)24(38)34-12-9-25(27,28)20(15-23(37)32-10-13-36)18-4-2-3-5-22(18)34/h2-8,11,14-15,36H,9-10,12-13H2,1H3,(H,32,37)/b20-15-
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170 -38.4n/an/an/an/an/a7.423



Astellas Pharma Inc.



Assay Description
Chinese hamster ovary (CHO) cells stably expressing human V1a receptors. Cells were washed with phosphate buffered saline, and then collected in ice-...


Bioorg Med Chem 17: 8161-7 (2009)


Article DOI: 10.1016/j.bmc.2009.10.038
BindingDB Entry DOI: 10.7270/Q28K77DW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%