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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 = 'BDBM50313816'   
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))		BDBM50313816
PNG
(5-(3-(3-(3,5-difluoro-2-methylphenoxy)azetidin-1-y...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1cc(F)cc(F)c1C
Show InChI InChI=1S/C19H19F2N5O2/c1-11-16(21)6-13(20)7-17(11)28-15-9-25(10-15)19-24-23-12(2)26(19)14-4-5-18(27-3)22-8-14/h4-8,15H,9-10H2,1-3H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>4.20E+3n/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

Bioorg Med Chem Lett 20: 1851-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.143
BindingDB Entry DOI: 10.7270/Q2K074F1
More data for this
Ligand-Target Pair