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SMILES: Oc1ccc2CN(Cc3ccccc3)CCc2c1C=O

InChI Key: InChIKey=JXEWFOQECKCEHV-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 160360   
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))
BDBM160360
PNG
(US9040714, 28 | US9693992, 28)
Show SMILES Oc1ccc2CN(Cc3ccccc3)CCc2c1C=O
Show InChI InChI=1S/C17H17NO2/c19-12-16-15-8-9-18(10-13-4-2-1-3-5-13)11-14(15)6-7-17(16)20/h1-7,12,20H,8-11H2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/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
Serine/threonine-protein kinase/endoribonuclease IRE1


(Homo sapiens (Human))
BDBM160360
PNG
(US9040714, 28 | US9693992, 28)
Show SMILES Oc1ccc2CN(Cc3ccccc3)CCc2c1C=O
Show InChI InChI=1S/C17H17NO2/c19-12-16-15-8-9-18(10-13-4-2-1-3-5-13)11-14(15)6-7-17(16)20/h1-7,12,20H,8-11H2
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+4n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


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


US Patent US9040714 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F3S
More data for this
Ligand-Target Pair