BDBM50373873 CHEMBL256177

SMILES: Cc1c(Cc2cnc(nc2N)C2CC2)csc1CCO

InChI Key: InChIKey=GDKTUPHEYPDPSG-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50373873   

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))	BDBM50373873 (CHEMBL256177) Show SMILES Cc1c(Cc2cnc(nc2N)C2CC2)csc1CCO Show InChI InChI=1S/C15H19N3OS/c1-9-12(8-20-13(9)4-5-19)6-11-7-17-15(10-2-3-10)18-14(11)16/h7-8,10,19H,2-6H2,1H3,(H2,16,17,18)	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	660	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))	BDBM50373873 (CHEMBL256177) Show SMILES Cc1c(Cc2cnc(nc2N)C2CC2)csc1CCO Show InChI InChI=1S/C15H19N3OS/c1-9-12(8-20-13(9)4-5-19)6-11-7-17-15(10-2-3-10)18-14(11)16/h7-8,10,19H,2-6H2,1H3,(H2,16,17,18)	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	60	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
Transketolase (Homo sapiens (Human))	BDBM50373873 (CHEMBL256177) Show SMILES Cc1c(Cc2cnc(nc2N)C2CC2)csc1CCO Show InChI InChI=1S/C15H19N3OS/c1-9-12(8-20-13(9)4-5-19)6-11-7-17-15(10-2-3-10)18-14(11)16/h7-8,10,19H,2-6H2,1H3,(H2,16,17,18)	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	>5.00E+5	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of apo-transketolase				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