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34 similar compounds to monomer 35699

Compile data set for download or QSAR
Wt: 547.9
BDBM35673
Wt: 547.9
BDBM35674
Wt: 547.9
BDBM35675
Wt: 546.9
BDBM35676
Wt: 562.0
BDBM35677
Wt: 578.0
BDBM35678
Wt: 562.9
BDBM35679
Wt: 591.0
BDBM35680
Wt: 572.9
BDBM35681
Wt: 548.9
BDBM35682
Wt: 548.9
BDBM35683
Wt: 548.9
BDBM35684
Wt: 554.0
BDBM35685
Wt: 500.9
BDBM35666
Wt: 604.0
BDBM35686
Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 35673,35674,35675,35676,35677,35678,35679,35680,35681,35682,35683,35684,35685,35666,35686   
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))
BDBM35683
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1k)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C28H23ClF2N6O2/c1-18-10-13-37(35-18)20-8-9-22(24(29)15-20)27(39)36-14-11-28(30,31)23(21-6-2-3-7-25(21)36)16-26(38)32-17-19-5-4-12-33-34-19/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,32,38)/b23-16-
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3.40 -11.5n/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: 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))
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))
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))
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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9.70 -10.9n/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))
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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9.70 -10.9n/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))
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))
BDBM35684
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1l)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccncn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C28H23ClF2N6O2/c1-18-9-12-37(35-18)20-6-7-22(24(29)14-20)27(39)36-13-10-28(30,31)23(21-4-2-3-5-25(21)36)15-26(38)33-16-19-8-11-32-17-34-19/h2-9,11-12,14-15,17H,10,13,16H2,1H3,(H,33,38)/b23-15-
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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))
BDBM35686
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1n)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nc4ccccc4s3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C31H24ClF2N5O2S/c1-19-12-14-39(37-19)20-10-11-22(24(32)16-20)30(41)38-15-13-31(33,34)23(21-6-2-4-8-26(21)38)17-28(40)35-18-29-36-25-7-3-5-9-27(25)42-29/h2-12,14,16-17H,13,15,18H2,1H3,(H,35,40)/b23-17-
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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))
BDBM35685
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1m)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nccs3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H22ClF2N5O2S/c1-17-8-11-35(33-17)18-6-7-20(22(28)14-18)26(37)34-12-9-27(29,30)21(19-4-2-3-5-23(19)34)15-24(36)32-16-25-31-10-13-38-25/h2-8,10-11,13-15H,9,12,16H2,1H3,(H,32,36)/b21-15-
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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))
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))
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 V1a receptor


(Homo sapiens (Human))
BDBM35675
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1c)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccncc3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-10-14-37(35-19)21-6-7-23(25(30)16-21)28(39)36-15-11-29(31,32)24(22-4-2-3-5-26(22)36)17-27(38)34-18-20-8-12-33-13-9-20/h2-10,12-14,16-17H,11,15,18H2,1H3,(H,34,38)/b24-17-
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15 -10.7n/an/an/an/an/an/a25



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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))
BDBM35678
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1f)
Show SMILES COc1cccc(CNC(=O)\C=C2\c3ccccc3N(CCC2(F)F)C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)n1
Show InChI InChI=1S/C30H26ClF2N5O3/c1-19-12-14-38(36-19)21-10-11-23(25(31)16-21)29(40)37-15-13-30(32,33)24(22-7-3-4-8-26(22)37)17-27(39)34-18-20-6-5-9-28(35-20)41-2/h3-12,14,16-17H,13,15,18H2,1-2H3,(H,34,39)/b24-17-
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16 -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))
BDBM35676
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1d)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccc3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H25ClF2N4O2/c1-20-13-15-37(35-20)22-11-12-24(26(31)17-22)29(39)36-16-14-30(32,33)25(23-9-5-6-10-27(23)36)18-28(38)34-19-21-7-3-2-4-8-21/h2-13,15,17-18H,14,16,19H2,1H3,(H,34,38)/b25-18-
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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 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


(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



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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))
BDBM35675
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1c)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccncc3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-10-14-37(35-19)21-6-7-23(25(30)16-21)28(39)36-15-11-29(31,32)24(22-4-2-3-5-26(22)36)17-27(38)34-18-20-8-12-33-13-9-20/h2-10,12-14,16-17H,11,15,18H2,1H3,(H,34,38)/b24-17-
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20 -10.4n/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: 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))
BDBM35674
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1b)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnc3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-10-13-37(35-19)21-8-9-23(25(30)15-21)28(39)36-14-11-29(31,32)24(22-6-2-3-7-26(22)36)16-27(38)34-18-20-5-4-12-33-17-20/h2-10,12-13,15-17H,11,14,18H2,1H3,(H,34,38)/b24-16-
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21 -10.4n/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: 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))
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 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))
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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28 -10.2n/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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28 -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))
BDBM35674
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1b)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnc3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C29H24ClF2N5O2/c1-19-10-13-37(35-19)21-8-9-23(25(30)15-21)28(39)36-14-11-29(31,32)24(22-6-2-3-7-26(22)36)16-27(38)34-18-20-5-4-12-33-17-20/h2-10,12-13,15-17H,11,14,18H2,1H3,(H,34,38)/b24-16-
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40 -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))
BDBM35676
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1d)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccc3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H25ClF2N4O2/c1-20-13-15-37(35-20)22-11-12-24(26(31)17-22)29(39)36-16-14-30(32,33)25(23-9-5-6-10-27(23)36)18-28(38)34-19-21-7-3-2-4-8-21/h2-13,15,17-18H,14,16,19H2,1H3,(H,34,38)/b25-18-
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43 -10.0n/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))
BDBM35685
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1m)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nccs3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H22ClF2N5O2S/c1-17-8-11-35(33-17)18-6-7-20(22(28)14-18)26(37)34-12-9-27(29,30)21(19-4-2-3-5-23(19)34)15-24(36)32-16-25-31-10-13-38-25/h2-8,10-11,13-15H,9,12,16H2,1H3,(H,32,36)/b21-15-
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43 -10.0n/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))
BDBM35683
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1k)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C28H23ClF2N6O2/c1-18-10-13-37(35-18)20-8-9-22(24(29)15-20)27(39)36-14-11-28(30,31)23(21-6-2-3-7-25(21)36)16-26(38)32-17-19-5-4-12-33-34-19/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,32,38)/b23-16-
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43 -10.0n/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))
BDBM35684
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1l)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccncn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C28H23ClF2N6O2/c1-18-9-12-37(35-18)20-6-7-22(24(29)14-20)27(39)36-13-10-28(30,31)23(21-4-2-3-5-25(21)36)15-26(38)33-16-19-8-11-32-17-34-19/h2-9,11-12,14-15,17H,10,13,16H2,1H3,(H,33,38)/b23-15-
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44 -10.0n/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))
BDBM35678
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1f)
Show SMILES COc1cccc(CNC(=O)\C=C2\c3ccccc3N(CCC2(F)F)C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)n1
Show InChI InChI=1S/C30H26ClF2N5O3/c1-19-12-14-38(36-19)21-10-11-23(25(31)16-21)29(40)37-15-13-30(32,33)24(22-7-3-4-8-26(22)37)17-27(39)34-18-20-6-5-9-28(35-20)41-2/h3-12,14,16-17H,13,15,18H2,1-2H3,(H,34,39)/b24-17-
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47 -9.99n/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))
BDBM35686
PNG
(5H-1-benzazepin-5-ylidene acetamide, 1n)
Show SMILES Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nc4ccccc4s3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C31H24ClF2N5O2S/c1-19-12-14-39(37-19)20-10-11-22(24(32)16-20)30(41)38-15-13-31(33,34)23(21-6-2-4-8-26(21)38)17-28(40)35-18-29-36-25-7-3-5-9-27(25)42-29/h2-12,14,16-17H,13,15,18H2,1H3,(H,35,40)/b23-17-
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55 -9.90n/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