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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50354912'   
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 V1a receptor


(Homo sapiens (Human))
BDBM50354912
PNG
(CHEMBL1837039)
Show SMILES CN(C)S(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
Show InChI InChI=1S/C22H26ClN7O2S/c1-27(2)33(31,32)29-14-17-13-18(23)6-7-19(17)30-21(15-29)25-26-22(30)16-8-11-28(12-9-16)20-5-3-4-10-24-20/h3-7,10,13,16H,8-9,11-12,14-15H2,1-2H3
PDB

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PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds...


Bioorg Med Chem Lett 21: 5684-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.038
BindingDB Entry DOI: 10.7270/Q2TB179T
More data for this
Ligand-Target Pair