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BDBM50537231 CHEMBL4578975

SMILES: COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC

InChI Key: InChIKey=IEDHWPCLYLYTME-PDDLMNHVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537231   
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)		BDBM50537231
PNG
(CHEMBL4578975)
Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r|
Show InChI InChI=1S/C30H35BrN4O6/c1-35(2)13-11-30(36,19-16-24(37-3)34-25(17-19)38-4)26(21-10-12-32-29(41-7)27(21)39-5)22-15-18-14-20(31)8-9-23(18)33-28(22)40-6/h8-10,12,14-17,26,36H,11,13H2,1-7H3/t26-,30-/m1/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+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