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PubMed code 18835174

Compile data set for download or QSAR
Found 17 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


(Rattus norvegicus (Rat))		BDBM35709
PNG
(YM-35278)
Show SMILES FC1(F)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
Show InChI InChI=1S/C38H30F2N4O3/c39-38(40)21-23-44(34-16-7-6-15-32(34)33(38)24-35(45)42-25-29-12-8-9-22-41-29)37(47)27-17-19-28(20-18-27)43-36(46)31-14-5-4-13-30(31)26-10-2-1-3-11-26/h1-20,22,24H,21,23,25H2,(H,42,45)(H,43,46)/b33-24-
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 0.400 -53.3n/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 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


(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 -47.2n/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


(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 -46.6n/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


(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 -45.6n/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


(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 -45.6n/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


(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 -45.1n/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


(Homo sapiens (Human))		BDBM35706
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10m)
Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
Show InChI InChI=1S/C31H31ClF2N4O2/c32-27-19-23(37-16-7-1-2-8-17-37)12-13-25(27)30(40)38-18-14-31(33,34)26(24-10-3-4-11-28(24)38)20-29(39)36-21-22-9-5-6-15-35-22/h3-6,9-13,15,19-20H,1-2,7-8,14,16-18,21H2,(H,36,39)/b26-20-
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 11 -45.1n/an/a 646n/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


(Homo sapiens (Human))		BDBM35705
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10l)
Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
Show InChI InChI=1S/C30H29ClF2N4O2/c31-26-18-22(36-15-6-1-7-16-36)11-12-24(26)29(39)37-17-13-30(32,33)25(23-9-2-3-10-27(23)37)19-28(38)35-20-21-8-4-5-14-34-21/h2-5,8-12,14,18-19H,1,6-7,13,15-17,20H2,(H,35,38)/b25-19-
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 14 -44.5n/an/a 104n/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


(Homo sapiens (Human))		BDBM35703
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10j | racemat...)
Show SMILES CC1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H29ClF2N4O2/c1-20-11-14-36(19-20)22-9-10-24(26(31)16-22)29(39)37-15-12-30(32,33)25(23-7-2-3-8-27(23)37)17-28(38)35-18-21-6-4-5-13-34-21/h2-10,13,16-17,20H,11-12,14-15,18-19H2,1H3,(H,35,38)/b25-17-
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 14 -44.5n/an/a 1.25n/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


(Homo sapiens (Human))		BDBM35704
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10k)
Show SMILES CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H29ClF2N4O2/c1-20-7-6-15-36(20)22-11-12-24(26(31)17-22)29(39)37-16-13-30(32,33)25(23-9-2-3-10-27(23)37)18-28(38)35-19-21-8-4-5-14-34-21/h2-5,8-12,14,17-18,20H,6-7,13,15-16,19H2,1H3,(H,35,38)/b25-18-
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 16 -44.2n/an/a 1.10E+3n/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


(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 -43.9n/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


(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 -43.8n/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 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


(Homo sapiens (Human))		BDBM35701
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10h)
Show SMILES FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2cc3ccccc3n2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
Show InChI InChI=1S/C32H24ClF2N5O2/c33-27-17-23(40-20-21-7-1-3-10-28(21)38-40)12-13-25(27)31(42)39-16-14-32(34,35)26(24-9-2-4-11-29(24)39)18-30(41)37-19-22-8-5-6-15-36-22/h1-13,15,17-18,20H,14,16,19H2,(H,37,41)/b26-18-
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 20 -43.6n/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


(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 -43.5n/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


(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 -43.4n/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 V2 receptor


(Homo sapiens (Human))		BDBM35708
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10o)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C30H30ClF2N5O2/c1-36-14-16-37(17-15-36)22-9-10-24(26(31)18-22)29(40)38-13-11-30(32,33)25(23-7-2-3-8-27(23)38)19-28(39)35-20-21-6-4-5-12-34-21/h2-10,12,18-19H,11,13-17,20H2,1H3,(H,35,39)/b25-19-
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 170 -38.4n/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 V2 receptor


(Homo sapiens (Human))		BDBM35707
PNG
(5H-1-benzazepin-5-ylidene acetamide, 10n | racemat...)
Show SMILES CN(C)C1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C31H32ClF2N5O2/c1-37(2)23-12-15-38(20-23)22-10-11-25(27(32)17-22)30(41)39-16-13-31(33,34)26(24-8-3-4-9-28(24)39)18-29(40)36-19-21-7-5-6-14-35-21/h3-11,14,17-18,23H,12-13,15-16,19-20H2,1-2H3,(H,36,40)/b26-18-
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 200 -38.0n/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
* indicates data uncertainty>20%