BDBM50373884 CHEMBL255548

SMILES: Cc1c(Cc2cnc(nc2N)-c2ccccc2)csc1CCO

InChI Key: InChIKey=REJYOGBVJYBRLX-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 = 50373884   

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))	BDBM50373884 (CHEMBL255548) Show SMILES Cc1c(Cc2cnc(nc2N)-c2ccccc2)csc1CCO Show InChI InChI=1S/C18H19N3OS/c1-12-15(11-23-16(12)7-8-22)9-14-10-20-18(21-17(14)19)13-5-3-2-4-6-13/h2-6,10-11,22H,7-9H2,1H3,(H2,19,20,21)	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
Transketolase (Homo sapiens (Human))	BDBM50373884 (CHEMBL255548) Show SMILES Cc1c(Cc2cnc(nc2N)-c2ccccc2)csc1CCO Show InChI InChI=1S/C18H19N3OS/c1-12-15(11-23-16(12)7-8-22)9-14-10-20-18(21-17(14)19)13-5-3-2-4-6-13/h2-6,10-11,22H,7-9H2,1H3,(H2,19,20,21)	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	230	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))	BDBM50373884 (CHEMBL255548) Show SMILES Cc1c(Cc2cnc(nc2N)-c2ccccc2)csc1CCO Show InChI InChI=1S/C18H19N3OS/c1-12-15(11-23-16(12)7-8-22)9-14-10-20-18(21-17(14)19)13-5-3-2-4-6-13/h2-6,10-11,22H,7-9H2,1H3,(H2,19,20,21)	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	>1.00E+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