BDBM50199480 CHEMBL250859

SMILES: CC(=O)c1ccccc1NC(=O)c1ccccc1F

InChI Key: InChIKey=AXEWCJPQBRCKEB-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50199480   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199480 (CHEMBL250859) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccccc1F Show InChI InChI=1S/C15H12FNO2/c1-10(18)11-6-3-5-9-14(11)17-15(19)12-7-2-4-8-13(12)16/h2-9H,1H3,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Shiga toxin subunit A (Shigella dysenteriae)	BDBM50199480 (CHEMBL250859) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccccc1F Show InChI InChI=1S/C15H12FNO2/c1-10(18)11-6-3-5-9-14(11)17-15(19)12-7-2-4-8-13(12)16/h2-9H,1H3,(H,17,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit in African green monkey Vero cells assessed as inhibition of Stx-induced cytotoxicity...				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