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SMILES: OCC(=O)c1c[nH]c2ccc(O)cc12

InChI Key: InChIKey=KJJURYMJNKFPSP-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 = 50276440   
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
Isocitrate lyase


(Candida albicans)
BDBM50276440
PNG
(CHEMBL505766 | hyrtiosin A)
Show SMILES OCC(=O)c1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H9NO3/c12-5-10(14)8-4-11-9-2-1-6(13)3-7(8)9/h1-4,11-13H,5H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.18E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 19: 1051-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50276440
PNG
(CHEMBL505766 | hyrtiosin A)
Show SMILES OCC(=O)c1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H9NO3/c12-5-10(14)8-4-11-9-2-1-6(13)3-7(8)9/h1-4,11-13H,5H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.18E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 20: 6882-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.029
BindingDB Entry DOI: 10.7270/Q2M61KGZ
More data for this
Ligand-Target Pair