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BDBM50199477 CHEMBL3964948

SMILES: O=C(Oc1c(oc2ccccc2c1=O)-c1ccccc1)\C=C\c1ccccc1

InChI Key: InChIKey=DOCCHSKWAGWQMA-FOCLMDBBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50199477   
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
Shiga toxin subunit A


(Shigella dysenteriae)		BDBM50199477
PNG
(CHEMBL3964948)
Show SMILES O=C(Oc1c(oc2ccccc2c1=O)-c1ccccc1)\C=C\c1ccccc1
Show InChI InChI=1S/C24H16O4/c25-21(16-15-17-9-3-1-4-10-17)28-24-22(26)19-13-7-8-14-20(19)27-23(24)18-11-5-2-6-12-18/h1-16H/b16-15+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.78E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-b...

J Med Chem 59: 10763-10773 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01517
BindingDB Entry DOI: 10.7270/Q2571DZG
More data for this
Ligand-Target Pair