BDBM108065 1‐ethylindole‐2,3‐dione (Compound 3)

SMILES: CCN1C(=O)C(=O)c2ccccc12

InChI Key: InChIKey=ORYSFKVWQQMDAX-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 108065   

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
Chorismate mutase (MTB CM) (Mycobacterium tuberculosis H37Rv)	BDBM108065 (1‐ethylindole‐2,3‐dione (Compoun...) Show SMILES CCN1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.27E+4	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India					Assay Description The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...				Chem Biol Drug Des 83: 498-506 (2014) Article DOI: 10.1111/cbdd.12265 BindingDB Entry DOI: 10.7270/Q2F76B65
					More data for this Ligand-Target Pair