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BDBM50227434 CHEBI:69438::E636::MALTOL::Maltol

SMILES: Cc1occc(=O)c1O

InChI Key: InChIKey=XPCTZQVDEJYUGT-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50227434   
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
Glyoxalase I


(Homo sapiens (Human))
BDBM50227434
PNG
(CHEBI:69438 | E636 | MALTOL | Maltol)
Show SMILES Cc1occc(=O)c1O
Show InChI InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
2.24E+5n/an/an/an/an/an/an/an/a



Uniroyal Chemical Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition constant of compound against binding of Yeast Glyoxalase I


J Med Chem 31: 1396-406 (1988)


BindingDB Entry DOI: 10.7270/Q2P55QQJ
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50227434
PNG
(CHEBI:69438 | E636 | MALTOL | Maltol)
Show SMILES Cc1occc(=O)c1O
Show InChI InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...


J Med Chem 59: 6444-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00628
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50227434
PNG
(CHEBI:69438 | E636 | MALTOL | Maltol)
Show SMILES Cc1occc(=O)c1O
Show InChI InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<2.00E+5n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...


J Med Chem 59: 6444-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00628
More data for this
Ligand-Target Pair