BDBM50373720 CHEMBL271044

SMILES: Cc1c(CCO)sc[n+]1Cc1c(C)cc(C)nc1N

InChI Key: InChIKey=LRONELPGXWMQTR-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 = 50373720   

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))	BDBM50373720 (CHEMBL271044) Show SMILES Cc1c(CCO)sc[n+]1Cc1c(C)cc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-9-6-10(2)16-14(15)12(9)7-17-8-19-13(4-5-18)11(17)3/h6,8,18H,4-5,7H2,1-3H3,(H2,15,16)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.30	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of human transketolase in HCT116 cells				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair
Transketolase (Homo sapiens (Human))	BDBM50373720 (CHEMBL271044) Show SMILES Cc1c(CCO)sc[n+]1Cc1c(C)cc(C)nc1N Show InChI InChI=1S/C14H20N3OS/c1-9-6-10(2)16-14(15)12(9)7-17-8-19-13(4-5-18)11(17)3/h6,8,18H,4-5,7H2,1-3H3,(H2,15,16)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of transketolase by TPPK/apo-TK coupled assay				Bioorg Med Chem Lett 18: 2206-10 (2008) Article DOI: 10.1016/j.bmcl.2007.11.101 BindingDB Entry DOI: 10.7270/Q26D5TVN
					More data for this Ligand-Target Pair