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BDBM50123111 4-{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylidenemethyl]-3-hydroxy-phenoxy}-butyronitrile::CHEMBL134861

SMILES: Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(OCCCC#N)cc1O

InChI Key: InChIKey=FZYPZXTUUYGJBK-CXUHLZMHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123111   
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
Chorismate synthase


(Streptococcus pneumoniae)		BDBM50123111
PNG
(4-{4-[6,7-Dihydroxy-3-oxo-3H-benzofuran-(2E)-ylide...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1O)=C/c1ccc(OCCCC#N)cc1O
Show InChI InChI=1S/C19H15NO6/c20-7-1-2-8-25-12-4-3-11(15(22)10-12)9-16-17(23)13-5-6-14(21)18(24)19(13)26-16/h3-6,9-10,21-22,24H,1-2,8H2/b16-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



PanTherix Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Streptococcus pneumoniae chorismate synthase

Bioorg Med Chem Lett 13: 423-6 (2003)


BindingDB Entry DOI: 10.7270/Q2TH8M2M
More data for this
Ligand-Target Pair