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BDBM257087 US9493435, 105

SMILES: COCc1cn(nn1)-c1ccc2c(C=O)c(O)ccc2c1

InChI Key: InChIKey=YEFKCDULRHTUMX-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 257087   
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
GST-Inositol requiring enzyme 1 (IRE-1alpha)


(Homo sapiens (Human))
BDBM257087
PNG
(US9493435, 105)
Show SMILES COCc1cn(nn1)-c1ccc2c(C=O)c(O)ccc2c1
Show InChI InChI=1S/C15H13N3O3/c1-21-9-11-7-18(17-16-11)12-3-4-13-10(6-12)2-5-15(20)14(13)8-19/h2-8,20H,9H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/a7.530



MannKing Corporation

US Patent


Assay Description
A fusion protein comprising glutathione S transferase (GST) and human IRE-1α (GST-IRE-1α) obtained from a 500 ml baculovirus-infected ins...


US Patent US9493435 (2016)


BindingDB Entry DOI: 10.7270/Q29Z93TG
More data for this
Ligand-Target Pair