BDBM50000979 CHEMBL3229807

SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](CSCCC(O)=O)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=PLJKSZDUSRLDNR-IVZWLZJFSA-N

Data: 1 KI

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 = 50000979   

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
Thymidine kinase, cytosolic (Cricetulus griseus)	BDBM50000979 (CHEMBL3229807) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CSCCC(O)=O)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H18N2O6S/c1-7-5-15(13(20)14-12(7)19)10-4-8(16)9(21-10)6-22-3-2-11(17)18/h5,8-10,16H,2-4,6H2,1H3,(H,17,18)(H,14,19,20)/t8-,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...				J Med Chem 22: 621-31 (1979) BindingDB Entry DOI: 10.7270/Q2WH2RHF
					More data for this Ligand-Target Pair