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SMILES: COc1cc2c(oc(C)c(CC(=O)NCCN(C)C)c2=O)c(C=O)c1O

InChI Key: InChIKey=QZNFRCVOYOPTMC-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 = 70503   
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))		BDBM70503
PNG
(US9693992, 211)
Show SMILES COc1cc2c(oc(C)c(CC(=O)NCCN(C)C)c2=O)c(C=O)c1O
Show InChI InChI=1S/C18H22N2O6/c1-10-11(8-15(22)19-5-6-20(2)3)16(23)12-7-14(25-4)17(24)13(9-21)18(12)26-10/h7,9,24H,5-6,8H2,1-4H3,(H,19,22)
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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