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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 = 'BDBM50246596'   
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


(Homo sapiens (Human))
BDBM50246596
PNG
((4R)-4-Hydroxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1...)
Show SMILES CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
Show InChI InChI=1S/C27H34N4O4/c1-18-14-20(25(33)30-13-7-6-9-19-8-4-5-10-23(19)30)11-12-21(18)16-28-27(35)31-17-22(32)15-24(31)26(34)29(2)3/h4-5,8,10-12,14,22,24,32H,6-7,9,13,15-17H2,1-3H3,(H,28,35)/t22-,24+/m1/s1
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Article
PubMed
n/an/an/an/a 2.30n/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
Vasopressin V2 receptor


(Rattus norvegicus (Rat))
BDBM50246596
PNG
((4R)-4-Hydroxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1...)
Show SMILES CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
Show InChI InChI=1S/C27H34N4O4/c1-18-14-20(25(33)30-13-7-6-9-19-8-4-5-10-23(19)30)11-12-21(18)16-28-27(35)31-17-22(32)15-24(31)26(34)29(2)3/h4-5,8,10-12,14,22,24,32H,6-7,9,13,15-17H2,1-3H3,(H,28,35)/t22-,24+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 41n/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