BDBM50084413 CHEMBL3426250

SMILES: O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3C(=O)c4ccccc4C(=O)c3c1)c1ccccc1-c1ccccc21

InChI Key: InChIKey=WZALTAUXOYNIPC-UHFFFAOYSA-N

Data: 2 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 = 50084413   

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 (ALR2) (Bos taurus (Cattle))	BDBM50084413 (CHEMBL3426250) Show SMILES O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3C(=O)c4ccccc4C(=O)c3c1)c1ccccc1-c1ccccc21 Show InChI InChI=1S/C29H16N2O6S/c32-25-19-9-1-2-10-20(19)26(33)22-15-16(13-14-21(22)25)38(36,37)31-28(35)30-27(34)29(31)23-11-5-3-7-17(23)18-8-4-6-12-24(18)29/h1-15H,(H,30,34,35)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of ALR2 in calf lenses using DL-glyceraldehyde as substrate treated with compound for 10 mins prior to substrate addition by UV spectropho...				Eur J Med Chem 98: 127-38 (2015) Article DOI: 10.1016/j.ejmech.2015.05.011 BindingDB Entry DOI: 10.7270/Q25140X4
					More data for this Ligand-Target Pair
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM50084413 (CHEMBL3426250) Show SMILES O=C1NC(=O)C2(N1S(=O)(=O)c1ccc3C(=O)c4ccccc4C(=O)c3c1)c1ccccc1-c1ccccc21 Show InChI InChI=1S/C29H16N2O6S/c32-25-19-9-1-2-10-20(19)26(33)22-15-16(13-14-21(22)25)38(36,37)31-28(35)30-27(34)29(31)23-11-5-3-7-17(23)18-8-4-6-12-24(18)29/h1-15H,(H,30,34,35)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of ALR1 in calf kidney using sodium D-glucoronate as substrate treated with compound for 10 mins prior to substrate addition by UV spectro...				Eur J Med Chem 98: 127-38 (2015) Article DOI: 10.1016/j.ejmech.2015.05.011 BindingDB Entry DOI: 10.7270/Q25140X4
					More data for this Ligand-Target Pair