BDBM50373875 CHEMBL401572

SMILES: Cc1c(Cc2cnc(nc2N)C(F)(F)F)csc1CCO

InChI Key: InChIKey=WOWPAXLLLPVQGK-UHFFFAOYSA-N

Data: 1 Kd  1 EC50

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 = 50373875   

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
Transketolase (Homo sapiens (Human))	BDBM50373875 (CHEMBL401572) Show SMILES Cc1c(Cc2cnc(nc2N)C(F)(F)F)csc1CCO Show InChI InChI=1S/C13H14F3N3OS/c1-7-9(6-21-10(7)2-3-20)4-8-5-18-12(13(14,15)16)19-11(8)17/h5-6,20H,2-4H2,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase in human HCT116 cells				Bioorg Med Chem Lett 18: 509-12 (2008) Article DOI: 10.1016/j.bmcl.2007.11.098 BindingDB Entry DOI: 10.7270/Q2WW7JJ3
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373875 (CHEMBL401572) Show SMILES Cc1c(Cc2cnc(nc2N)C(F)(F)F)csc1CCO Show InChI InChI=1S/C13H14F3N3OS/c1-7-9(6-21-10(7)2-3-20)4-8-5-18-12(13(14,15)16)19-11(8)17/h5-6,20H,2-4H2,1H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assay				Bioorg Med Chem Lett 18: 509-12 (2008) Article DOI: 10.1016/j.bmcl.2007.11.098 BindingDB Entry DOI: 10.7270/Q2WW7JJ3
					More data for this Ligand-Target Pair