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BDBM50460300 CHEMBL4225899

SMILES: COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2occc12

InChI Key: InChIKey=WSPCBGVUBNNPHE-QLWXXVCSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50460300   
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)		BDBM50460300
PNG
(CHEMBL4225899)
Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2occc12 |r|
Show InChI InChI=1S/C32H33BrN2O5/c1-35(2)15-13-32(36,26-7-6-8-27-23(26)12-16-40-27)29(24-11-14-34-31(39-5)30(24)38-4)25-18-21-17-22(33)10-9-20(21)19-28(25)37-3/h6-12,14,16-19,29,36H,13,15H2,1-5H3/t29-,32-/m1/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay

Bioorg Med Chem 26: 1797-1809 (2018)


Article DOI: 10.1016/j.bmc.2018.02.026
BindingDB Entry DOI: 10.7270/Q2TQ645G
More data for this
Ligand-Target Pair