BDBM50343933 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid::CHEMBL1235556

SMILES: OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccnc12

InChI Key: InChIKey=IEVFQDJUDLCOQY-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 = 50343933   

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))	BDBM50343933 (2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)...) Show SMILES OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccnc12 Show InChI InChI=1S/C17H10F3N3O2S/c18-10-5-11(19)16-15(14(10)20)22-12(26-16)4-8-6-23(7-13(24)25)17-9(8)2-1-3-21-17/h1-3,5-6H,4,7H2,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Institute for Diabetes Discovery, LLC Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase 1 after 10 mins by spectrophotometry analysis				Bioorg Med Chem Lett 19: 2006-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.037 BindingDB Entry DOI: 10.7270/Q2W66M3T
					More data for this Ligand-Target Pair				3D Structure (crystal)