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SMILES: CN1CCN(CC1)C(=O)CCc1c(C)c2ccc(O)c(C=O)c2oc1=O

InChI Key: InChIKey=QSHGSJNEJLSXJL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 65602   
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))		BDBM65602
PNG
(US9693992, 15)
Show SMILES CN1CCN(CC1)C(=O)CCc1c(C)c2ccc(O)c(C=O)c2oc1=O
Show InChI InChI=1S/C19H22N2O5/c1-12-13-3-5-16(23)15(11-22)18(13)26-19(25)14(12)4-6-17(24)21-9-7-20(2)8-10-21/h3,5,11,23H,4,6-10H2,1-2H3
PDB
MMDB

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Similars
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