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2 similar compounds to monomer 50004047

Compile data set for download or QSAR
Wt: 167.1
BDBM111008
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Wt: 197.1
BDBM110978
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 111008,110978   
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))
BDBM110978
PNG
(US8614253, 3-9 | US9241942, 3-9)
Show SMILES COc1cc(cc(C=O)c1O)[N+]([O-])=O
Show InChI InChI=1S/C8H7NO5/c1-14-7-3-6(9(12)13)2-5(4-10)8(7)11/h2-4,11H,1H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 170n/an/an/an/a7.530



MannKind Corporation

US Patent


Assay Description
IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...


US Patent US8614253 (2013)


BindingDB Entry DOI: 10.7270/Q2RF5SQR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111008
PNG
(US8614253, 3-39 | US9241942, 3-39)
Show SMILES Oc1ccc(cc1C=O)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.28E+3n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


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


US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM110978
PNG
(US8614253, 3-9 | US9241942, 3-9)
Show SMILES COc1cc(cc(C=O)c1O)[N+]([O-])=O
Show InChI InChI=1S/C8H7NO5/c1-14-7-3-6(9(12)13)2-5(4-10)8(7)11/h2-4,11H,1H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 170n/an/an/an/a7.5n/a



MannKind Corporation

US Patent


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


US Patent US9241942 (2016)


BindingDB Entry DOI: 10.7270/Q25B0192
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM111008
PNG
(US8614253, 3-39 | US9241942, 3-39)
Show SMILES Oc1ccc(cc1C=O)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.28E+3n/an/an/an/a7.530



MannKind Corporation

US Patent


Assay Description
IRE-1 alpha, T1 RNase, and RNase A assays carried out in vitro with several o-vanillin derivatives to demonstrate selectivity of the derivatives for ...


US Patent US8614253 (2013)


BindingDB Entry DOI: 10.7270/Q2RF5SQR
More data for this
Ligand-Target Pair