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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50338798'   
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 V1b receptor


(Homo sapiens (Human))
BDBM50338798
PNG
(CHEMBL1684561 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C27H34N4O5/c1-19(2)28-25(32)18-31-26(20-6-4-7-21(16-20)34-3)29-24-9-8-22(17-23(24)27(31)33)36-13-5-10-30-11-14-35-15-12-30/h4,6-9,16-17,19H,5,10-15,18H2,1-3H3,(H,28,32)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay


Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair