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BDBM160439 US9040714, 153::US9693992, 153

SMILES: COCCOc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)N3CCOCC3)c(C)c12

InChI Key: InChIKey=KNSQUYCDRRRXPQ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 160439   
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 Alpha


(Homo sapiens (Human))
BDBM160439
PNG
(US9040714, 153 | US9693992, 153)
Show SMILES COCCOc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)N3CCOCC3)c(C)c12
Show InChI InChI=1S/C21H25NO8/c1-13-14(3-4-18(25)22-5-7-28-8-6-22)21(26)30-20-15(12-23)16(24)11-17(19(13)20)29-10-9-27-2/h11-12,24H,3-10H2,1-2H3
PDB
MMDB

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B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<100n/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 Alpha


(Homo sapiens (Human))
BDBM160439
PNG
(US9040714, 153 | US9693992, 153)
Show SMILES COCCOc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)N3CCOCC3)c(C)c12
Show InChI InChI=1S/C21H25NO8/c1-13-14(3-4-18(25)22-5-7-28-8-6-22)21(26)30-20-15(12-23)16(24)11-17(19(13)20)29-10-9-27-2/h11-12,24H,3-10H2,1-2H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a<100n/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