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SMILES: COCCOc1cc2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c(C=O)c1O

InChI Key: InChIKey=UGGLVAZDABNTQY-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 70474   
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
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))		BDBM70474
PNG
(US9693992, 188)
Show SMILES COCCOc1cc2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c(C=O)c1O
Show InChI InChI=1S/C20H23NO8/c1-12-13-9-16(28-8-7-26-2)18(24)15(11-22)19(13)29-20(25)14(12)10-17(23)21-3-5-27-6-4-21/h9,11,24H,3-8,10H2,1-2H3
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US Patent
n/an/an/an/a<1.00E+4n/an/a7.530



MannKind 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 US9693992 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ35BC
More data for this
Ligand-Target Pair