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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 = 'BDBM50263913'   
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))		BDBM50263913
PNG
(5-(3-((2H-1,2,3-triazol-2-yl)methyl)-5-(4-ethoxy-3...)
Show SMILES CCOc1ccc(cc1C)-c1nnc(Cn2nccn2)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H21N7O2/c1-4-29-17-7-5-15(11-14(17)2)20-25-24-18(13-26-22-9-10-23-26)27(20)16-6-8-19(28-3)21-12-16/h5-12H,4,13H2,1-3H3
PDB

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PC cid
PC sid
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Similars
Article
PubMed
 214n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a receptor by cell based beta-lactamase reporter gene assay

Bioorg Med Chem Lett 18: 5242-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.066
BindingDB Entry DOI: 10.7270/Q2833RVK
More data for this
Ligand-Target Pair