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4 similar compounds to monomer 50246578

Compile data set for download or QSAR
Wt: 462.5
BDBM50246575
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Wt: 490.6
BDBM50246576
Wt: 462.5
BDBM50246577
Wt: 448.5
BDBM50247101

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50246575,50246576,50246577,50247101   
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))
BDBM50246575
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human vasopressin V2 receptor expressed in HEK293 cells by radioligand binding assay


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50246575
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Binding affinity to oxytocin receptor (unknown origin)


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50246575
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50246576
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C29H38N4O3/c1-4-31(5-2)28(35)26-14-10-18-33(26)29(36)30-20-24-16-15-23(19-21(24)3)27(34)32-17-9-8-12-22-11-6-7-13-25(22)32/h6-7,11,13,15-16,19,26H,4-5,8-10,12,14,17-18,20H2,1-3H3,(H,30,36)/t26-/m0/s1
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n/an/an/an/a 350n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50246577
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CN(C)C(=O)[C@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m1/s1
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n/an/an/an/a 380n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50246575
PNG
(1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-y...)
Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
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PubMed
n/an/an/an/a 150n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase reporter...


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50247101
PNG
(1-(4-[N-(2-Pyrrolidin-1-yl-2-oxoethylcarbamoyl]ami...)
Show SMILES Cc1cc(ccc1CNC(=O)NCC(=O)N1CCCC1)C(=O)N1CCCCc2ccccc12
Show InChI InChI=1S/C26H32N4O3/c1-19-16-21(25(32)30-15-5-4-9-20-8-2-3-10-23(20)30)11-12-22(19)17-27-26(33)28-18-24(31)29-13-6-7-14-29/h2-3,8,10-12,16H,4-7,9,13-15,17-18H2,1H3,(H2,27,28,33)
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n/an/an/an/a 100n/an/an/an/a



Vantia Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 receptor expressed in HEK293 cells assessed as increase in intracellular cAMP level by CRE-luciferase report...


J Med Chem 51: 8124-34 (2008)


Article DOI: 10.1021/jm8008162
BindingDB Entry DOI: 10.7270/Q28W3D6V
More data for this
Ligand-Target Pair