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21 similar compounds to monomer 35706

Compile data set for download or QSAR
Wt: 503.9
BDBM35669
Wt: 503.9
BDBM35671
Wt: 547.9
BDBM35673
Wt: 562.0
BDBM35677
Wt: 562.9
BDBM35679
Wt: 591.0
BDBM35680
Wt: 572.9
BDBM35681
Wt: 548.9
BDBM35682
Wt: 533.9
BDBM35695
Wt: 562.0
BDBM35696
Wt: 576.0
BDBM35697
Wt: 610.0
BDBM35698
Wt: 562.0
BDBM35699
Wt: 547.9
BDBM35700
Wt: 537
BDBM35702
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 35669,35671,35673,35677,35679,35680,35681,35682,35695,35696,35697,35698,35699,35700,35702   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35673
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1a | BMC16952...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-11-14-37(35-19)21-9-10-23(25(30)16-21)28(39)36-15-12-29(31,32)24(22-7-2-3-8-26(22)36)17-27(38)34-18-20-6-4-5-13-33-20/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,38)/b24-17-
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4.80 -11.3n/an/a 1.80n/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 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35673
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1a | BMC16952...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-11-14-37(35-19)21-9-10-23(25(30)16-21)28(39)36-15-12-29(31,32)24(22-7-2-3-8-26(22)36)17-27(38)34-18-20-6-4-5-13-33-20/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,38)/b24-17-
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4.80 -11.3n/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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35677
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1e)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(C)n3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H26ClF2N5O2/c1-19-6-5-7-21(35-19)18-34-28(39)17-25-23-8-3-4-9-27(23)37(15-13-30(25,32)33)29(40)24-11-10-22(16-26(24)31)38-14-12-20(2)36-38/h3-12,14,16-17H,13,15,18H2,1-2H3,(H,34,39)/b25-17-
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5.60 -11.2n/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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35700
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10g)
Show SMILES Cc1ccnn1-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-11-14-35-37(19)21-9-10-23(25(30)16-21)28(39)36-15-12-29(31,32)24(22-7-2-3-8-26(22)36)17-27(38)34-18-20-6-4-5-13-33-20/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,38)/b24-17-
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6 -11.1n/an/a>1.00E+4n/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 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35681
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1i)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(n3)C#N)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H23ClF2N6O2/c1-19-11-13-39(37-19)22-9-10-24(26(31)15-22)29(41)38-14-12-30(32,33)25(23-7-2-3-8-27(23)38)16-28(40)35-18-21-6-4-5-20(17-34)36-21/h2-11,13,15-16H,12,14,18H2,1H3,(H,35,40)/b25-16-
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7.40 -11.0n/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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35699
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10f)
Show SMILES Cc1cc(C)n(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H26ClF2N5O2/c1-19-15-20(2)38(36-19)22-10-11-24(26(31)16-22)29(40)37-14-12-30(32,33)25(23-8-3-4-9-27(23)37)17-28(39)35-18-21-7-5-6-13-34-21/h3-11,13,15-17H,12,14,18H2,1-2H3,(H,35,39)/b25-17-
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9.10 -10.9n/an/a>1.00E+4n/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 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35695
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10b)
Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2cccn2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
Show InChI InChI=1S/C28H22ClF2N5O2/c29-24-16-20(36-14-5-13-34-36)9-10-22(24)27(38)35-15-11-28(30,31)23(21-7-1-2-8-25(21)35)17-26(37)33-18-19-6-3-4-12-32-19/h1-10,12-14,16-17H,11,15,18H2,(H,33,37)/b23-17-
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9.20 -10.9n/an/a 61.9n/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 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35679
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1g)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(N)n3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H25ClF2N6O2/c1-18-11-13-38(36-18)20-9-10-22(24(30)15-20)28(40)37-14-12-29(31,32)23(21-6-2-3-7-25(21)37)16-27(39)34-17-19-5-4-8-26(33)35-19/h2-11,13,15-16H,12,14,17H2,1H3,(H2,33,35)(H,34,39)/b23-16-
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10 -10.8n/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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35680
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1h)
Show SMILES CN(C)c1cccc(CNC(=O)\C=C2\c3ccccc3N(CCC2(F)F)C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)n1
Show InChI InChI=1S/C31H29ClF2N6O2/c1-20-13-15-40(37-20)22-11-12-24(26(32)17-22)30(42)39-16-14-31(33,34)25(23-8-4-5-9-27(23)39)18-29(41)35-19-21-7-6-10-28(36-21)38(2)3/h4-13,15,17-18H,14,16,19H2,1-3H3,(H,35,41)/b25-18-
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11 -10.8n/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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35698
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10e)
Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2ccc(n2)-c2ccccc2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
Show InChI InChI=1S/C34H26ClF2N5O2/c35-29-20-25(42-18-15-30(40-42)23-8-2-1-3-9-23)13-14-27(29)33(44)41-19-16-34(36,37)28(26-11-4-5-12-31(26)41)21-32(43)39-22-24-10-6-7-17-38-24/h1-15,17-18,20-21H,16,19,22H2,(H,39,43)/b28-21-
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11 -10.8n/an/a>1.00E+4n/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 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
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
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 -10.7n/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 (V2)


(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
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 -10.7n/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 V2 receptor (V2)


(Homo sapiens (Human))
BDBM35682
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1j)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cnccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C28H23ClF2N6O2/c1-18-8-12-37(35-18)20-6-7-22(24(29)14-20)27(39)36-13-9-28(30,31)23(21-4-2-3-5-25(21)36)15-26(38)34-17-19-16-32-10-11-33-19/h2-8,10-12,14-16H,9,13,17H2,1H3,(H,34,38)/b23-15-
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14 -10.6n/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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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
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 -10.6n/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
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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17 -10.5n/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 (V2)


(Homo sapiens (Human))
BDBM35697
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10d)
Show SMILES CC(C)c1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C31H28ClF2N5O2/c1-20(2)27-12-15-39(37-27)22-10-11-24(26(32)17-22)30(41)38-16-13-31(33,34)25(23-8-3-4-9-28(23)38)18-29(40)36-19-21-7-5-6-14-35-21/h3-12,14-15,17-18,20H,13,16,19H2,1-2H3,(H,36,40)/b25-18-
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18 -10.5n/an/a>1.00E+4n/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 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM35673
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1a | BMC16952...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-11-14-37(35-19)21-9-10-23(25(30)16-21)28(39)36-15-12-29(31,32)24(22-7-2-3-8-26(22)36)17-27(38)34-18-20-6-4-5-13-33-20/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,38)/b24-17-
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19 -10.5n/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 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35696
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10c)
Show SMILES CCc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H26ClF2N5O2/c1-2-20-12-15-38(36-20)22-10-11-24(26(31)17-22)29(40)37-16-13-30(32,33)25(23-8-3-4-9-27(23)37)18-28(39)35-19-21-7-5-6-14-34-21/h3-12,14-15,17-18H,2,13,16,19H2,1H3,(H,35,39)/b25-18-
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21 -10.4n/an/a>1.00E+4n/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 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35681
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1i)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(n3)C#N)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H23ClF2N6O2/c1-19-11-13-39(37-19)22-9-10-24(26(31)15-22)29(41)38-14-12-30(32,33)25(23-7-2-3-8-27(23)38)16-28(40)35-18-21-6-4-5-20(17-34)36-21/h2-11,13,15-16H,12,14,18H2,1H3,(H,35,40)/b25-16-
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22 -10.4n/an/an/an/an/an/a25



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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35702
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10i)
Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
Show InChI InChI=1S/C29H27ClF2N4O2/c30-25-17-21(35-14-5-6-15-35)10-11-23(25)28(38)36-16-12-29(31,32)24(22-8-1-2-9-26(22)36)18-27(37)34-19-20-7-3-4-13-33-20/h1-4,7-11,13,17-18H,5-6,12,14-16,19H2,(H,34,37)/b24-18-
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22 -10.4n/an/a 3.13n/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 16: 9524-35 (2008)


Article DOI: 10.1016/j.bmc.2008.09.039
BindingDB Entry DOI: 10.7270/Q2125R12
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35673
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1a | BMC16952...)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-11-14-37(35-19)21-9-10-23(25(30)16-21)28(39)36-15-12-29(31,32)24(22-7-2-3-8-26(22)36)17-27(38)34-18-20-6-4-5-13-33-20/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,38)/b24-17-
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26 -10.3n/an/an/an/an/an/a25



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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35677
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1e)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(C)n3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H26ClF2N5O2/c1-19-6-5-7-21(35-19)18-34-28(39)17-25-23-8-3-4-9-27(23)37(15-13-30(25,32)33)29(40)24-11-10-22(16-26(24)31)38-14-12-20(2)36-38/h3-12,14,16-17H,13,15,18H2,1-2H3,(H,34,39)/b25-17-
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30 -10.3n/an/an/an/an/an/a25



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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35679
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1g)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(N)n3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H25ClF2N6O2/c1-18-11-13-38(36-18)20-9-10-22(24(30)15-20)28(40)37-14-12-29(31,32)23(21-6-2-3-7-25(21)37)16-27(39)34-17-19-5-4-8-26(33)35-19/h2-11,13,15-16H,12,14,17H2,1H3,(H2,33,35)(H,34,39)/b23-16-
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38 -10.1n/an/an/an/an/an/a25



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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35680
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1h)
Show SMILES CN(C)c1cccc(CNC(=O)\C=C2\c3ccccc3N(CCC2(F)F)C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)n1
Show InChI InChI=1S/C31H29ClF2N6O2/c1-20-13-15-40(37-20)22-11-12-24(26(32)17-22)30(42)39-16-14-31(33,34)25(23-8-4-5-9-27(23)39)18-29(41)35-19-21-7-6-10-28(36-21)38(2)3/h4-13,15,17-18H,14,16,19H2,1-3H3,(H,35,41)/b25-18-
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48 -9.98n/an/an/an/an/an/a25



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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35682
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1j)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cnccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C28H23ClF2N6O2/c1-18-8-12-37(35-18)20-6-7-22(24(29)14-20)27(39)36-13-9-28(30,31)23(21-4-2-3-5-25(21)36)15-26(38)34-17-19-16-32-10-11-33-19/h2-8,10-12,14-16H,9,13,17H2,1H3,(H,34,38)/b23-15-
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57 -9.88n/an/an/an/an/an/a25



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: 3130-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.001
BindingDB Entry DOI: 10.7270/Q24T6GQM
More data for this
Ligand-Target Pair