BDBM50009757 CHEMBL20637::[3-(5,7-Difluoro-benzothiazol-2-ylmethyl)-4-oxo-3,4-dihydro-phthalazin-1-yl]-acetic acid

SMILES: OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12

InChI Key: InChIKey=KNWXUWPPDTZSFW-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 = 50009757   

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))	BDBM50009757 (CHEMBL20637 | [3-(5,7-Difluoro-benzothiazol-2-ylme...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2ccccc12 Show InChI InChI=1S/C18H11F2N3O3S/c19-9-5-12(20)17-14(6-9)21-15(27-17)8-23-18(26)11-4-2-1-3-10(11)13(22-23)7-16(24)25/h1-6H,7-8H2,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.30	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