BDBM50009799 CHEMBL20380::[3-(6-Fluoro-5-methoxy-benzothiazol-2-ylmethyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid

SMILES: COc1cc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2cc1F

InChI Key: InChIKey=DXDAXZBKTKHYLX-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50009799   

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))	BDBM50009799 (CHEMBL20380 | [3-(6-Fluoro-5-methoxy-benzothiazol-...) Show SMILES COc1cc2nc(Cn3nc(CC(O)=O)c4ccccc4c3=O)sc2cc1F Show InChI InChI=1S/C19H14FN3O4S/c1-27-15-7-14-16(6-12(15)20)28-17(21-14)9-23-19(26)11-5-3-2-4-10(11)13(22-23)8-18(24)25/h2-7H,8-9H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human placenta.				J Med Chem 34: 108-22 (1991) BindingDB Entry DOI: 10.7270/Q2513X6H
					More data for this Ligand-Target Pair