BDBM50008450 (3-Benzo[c]isothiazol-3-ylmethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid::CHEMBL143569

SMILES: OC(=O)Cc1nn(Cc2snc3ccccc23)c(=O)c2ccccc12

InChI Key: InChIKey=KXJXYCGVDHCLRF-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 = 50008450   

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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50008450 ((3-Benzo[c]isothiazol-3-ylmethyl-4-oxo-3,4-dihydro...) Show SMILES OC(=O)Cc1nn(Cc2snc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C18H13N3O3S/c22-17(23)9-15-11-5-1-2-6-12(11)18(24)21(19-15)10-16-13-7-3-4-8-14(13)20-25-16/h1-8H,9-10H2,(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 457-65 (1992) BindingDB Entry DOI: 10.7270/Q28051K1
					More data for this Ligand-Target Pair