BDBM16242 2-{[4-(carboxymethyl)-3,5,5-trioxo-5-thia-4-azatricyclo[7.4.0.0^{2,6}]trideca-1,6,8,10,12-pentaen-7-yl]carbonyloxy}acetic acid::naphtho[1,2-d]isothiazole acetic acid deriv. 3::{4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1H)-yl}acetic acid

SMILES: OC(=O)COC(=O)c1cc2ccccc2c2C(=O)N(CC(O)=O)S(=O)(=O)c12

InChI Key: InChIKey=IXLBOIRSEDMRPI-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 = 16242   

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
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16242 (2-{[4-(carboxymethyl)-3,5,5-trioxo-5-thia-4-azatri...) Show SMILES OC(=O)COC(=O)c1cc2ccccc2c2C(=O)N(CC(O)=O)S(=O)(=O)c12 Show InChI InChI=1S/C16H11NO9S/c18-11(19)6-17-15(22)13-9-4-2-1-3-8(9)5-10(14(13)27(17,24)25)16(23)26-7-12(20)21/h1-5H,6-7H2,(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	6.2	30
University of Marburg					Assay Description The activity of the test enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the oxidation...				J Mol Biol 369: 186-97 (2007) Article DOI: 10.1016/j.jmb.2007.03.021 BindingDB Entry DOI: 10.7270/Q2BK19MR
					More data for this Ligand-Target Pair				3D Structure (crystal)