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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase component GLS2' and Ligand = 'BDBM50154862'   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154862
PNG
(CHEMBL3775482)
Show SMILES Cc1cc(on1)-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)n1C
Show InChI InChI=1S/C23H27F3N6OS/c1-15-12-20(33-29-15)21-27-28-22(30(21)2)34-11-3-9-31-13-16-8-10-32(19(16)14-31)18-6-4-17(5-7-18)23(24,25)26/h4-7,12,16,19H,3,8-11,13-14H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair