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BDBM50537184 CHEMBL4514254

SMILES: COc1cnc(OC)c(c1)C(O)(CCN(C)C)C(c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC

InChI Key: InChIKey=ZCVOKXSJKIJDQO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537184   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50537184
PNG
(CHEMBL4514254)
Show SMILES COc1cnc(OC)c(c1)C(O)(CCN(C)C)C(c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC
Show InChI InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,23-16-20(37-3)17-33-29(23)40-6)26(21-8-7-9-25(38-4)27(21)32)22-15-18-14-19(31)10-11-24(18)34-28(22)39-5/h7-11,14-17,26,36H,12-13H2,1-6H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human ERG by manual patch clamp electrophysiology assay


Bioorg Med Chem 27: 1283-1291 (2019)


Article DOI: 10.1016/j.bmc.2019.02.025
More data for this
Ligand-Target Pair