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7 similar compounds to monomer 35709

Compile data set for download or QSAR
Wt: 537
BDBM35702
Wt: 551.0
BDBM35703
Wt: 551.0
BDBM35704
Wt: 551.0
BDBM35705
Wt: 565.0
BDBM35706
Wt: 566.0
BDBM35708
Wt: 648.7
BDBM50108498

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 35702,35703,35704,35705,35706,35708,50108498   
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
AVPR1A


(RAT)
BDBM50108498
PNG
(Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...)
Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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0.160n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Vasopressin V1a receptor, performed using [3H]-AVP on rat liver


J Med Chem 45: 2589-98 (2002)


Article DOI: 10.1021/jm010544r
BindingDB Entry DOI: 10.7270/Q2NC60H9
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50108498
PNG
(Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...)
Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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0.620n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at cloned human Vasopressin V1a receptor stably expressed in CHO cells, using [3H]-AVP as radioligand


J Med Chem 45: 2589-98 (2002)


Article DOI: 10.1021/jm010544r
BindingDB Entry DOI: 10.7270/Q2NC60H9
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50108498
PNG
(Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...)
Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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0.620n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards vasopressin (V1A) receptor in rat liver membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)


Article DOI: 10.1016/s0960-894x(01)00723-5
BindingDB Entry DOI: 10.7270/Q2R78FQP
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50108498
PNG
(Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...)
Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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0.770n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at Vasopressin V2 receptor, performed using [3H]-AVP on rat kidney


J Med Chem 45: 2589-98 (2002)


Article DOI: 10.1021/jm010544r
BindingDB Entry DOI: 10.7270/Q2NC60H9
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50108498
PNG
(Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...)
Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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1.19n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity at cloned human Vasopressin V2 receptor stably expressed in CHO cells, using [3H]-AVP as radioligand


J Med Chem 45: 2589-98 (2002)


Article DOI: 10.1021/jm010544r
BindingDB Entry DOI: 10.7270/Q2NC60H9
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50108498
PNG
(Biphenyl-2-carboxylic acid (4-{5-[2-(4-dimethylami...)
Show SMILES CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C39H38F2N4O3/c1-43(2)30-20-23-44(24-21-30)36(46)26-34-33-14-8-9-15-35(33)45(25-22-39(34,40)41)38(48)28-16-18-29(19-17-28)42-37(47)32-13-7-6-12-31(32)27-10-4-3-5-11-27/h3-19,26,30H,20-25H2,1-2H3,(H,42,47)/b34-26-
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1.20n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards vasopressin (V2) receptor in rat kidney membrane using [3H]AVP as radioligand


Bioorg Med Chem Lett 12: 229-32 (2001)


Article DOI: 10.1016/s0960-894x(01)00723-5
BindingDB Entry DOI: 10.7270/Q2R78FQP
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(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 -10.8n/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 (V2)


(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 -10.6n/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 (V2)


(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 -10.6n/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 (V2)


(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 -10.6n/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 (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 V2 receptor (V2)


(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 -9.17n/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