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BDBM50537215 CHEMBL4593713

SMILES: COc1cnc(OC)c(c1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1

InChI Key: InChIKey=MAHMFPJJKAUVMB-BHBYDHKZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537215   
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)		BDBM50537215
PNG
(CHEMBL4593713)
Show SMILES COc1cnc(OC)c(c1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
Show InChI InChI=1S/C30H35BrN4O6/c1-35(2)11-10-30(36,19-14-25(38-4)34-26(15-19)39-5)27(23-16-21(37-3)17-32-28(23)40-6)22-13-18-12-20(31)8-9-24(18)33-29(22)41-7/h8-9,12-17,27,36H,10-11H2,1-7H3/t27-,30+/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Auckland Cancer Society Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem 27: 1292-1307 (2019)


Article DOI: 10.1016/j.bmc.2019.02.026
More data for this
Ligand-Target Pair