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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V2 receptor' and Ligand = 'BDBM50246609'   
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))
BDBM50246609
PNG
((4R)-4-Ethoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-...)
Show SMILES CCO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
Show InChI InChI=1S/C29H38N4O4/c1-5-37-24-17-26(28(35)31(3)4)33(19-24)29(36)30-18-23-14-13-22(16-20(23)2)27(34)32-15-9-8-11-21-10-6-7-12-25(21)32/h6-7,10,12-14,16,24,26H,5,8-9,11,15,17-19H2,1-4H3,(H,30,36)/t24-,26+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 15n/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


(Homo sapiens (Human))
BDBM50246609
PNG
((4R)-4-Ethoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-...)
Show SMILES CCO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
Show InChI InChI=1S/C29H38N4O4/c1-5-37-24-17-26(28(35)31(3)4)33(19-24)29(36)30-18-23-14-13-22(16-20(23)2)27(34)32-15-9-8-11-21-10-6-7-12-25(21)32/h6-7,10,12-14,16,24,26H,5,8-9,11,15,17-19H2,1-4H3,(H,30,36)/t24-,26+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.30n/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