BDBM50242978 2',3'-Dideoxy-3'-(trichloromethyldithio)thymidine::CHEMBL469885

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

InChI Key: InChIKey=SRWGKIDJLZBHAN-GJMOJQLCSA-N

Data: 2 IC50

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 = 50242978   

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 (Homo sapiens (Human))	BDBM50242978 (2',3'-Dideoxy-3'-(trichloromethyldithio)thymidine ...) Show SMILES Cc1cn([C@H]2C[C@H](SSC(Cl)(Cl)Cl)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H13Cl3N2O4S2/c1-5-3-16(10(19)15-9(5)18)8-2-7(6(4-17)20-8)21-22-11(12,13)14/h3,6-8,17H,2,4H2,1H3,(H,15,18,19)/t6-,7+,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Grenoble/CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant TK1 (unknown origin)-mediated phosphorylation of [CH3-3H]deoxythymidine in presence of dithiothreitol				Bioorg Med Chem 16: 6824-31 (2008) Article DOI: 10.1016/j.bmc.2008.05.065 BindingDB Entry DOI: 10.7270/Q26H4H62
					More data for this Ligand-Target Pair
Thymidine kinase, cytosolic (Homo sapiens (Human))	BDBM50242978 (2',3'-Dideoxy-3'-(trichloromethyldithio)thymidine ...) Show SMILES Cc1cn([C@H]2C[C@H](SSC(Cl)(Cl)Cl)[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H13Cl3N2O4S2/c1-5-3-16(10(19)15-9(5)18)8-2-7(6(4-17)20-8)21-22-11(12,13)14/h3,6-8,17H,2,4H2,1H3,(H,15,18,19)/t6-,7+,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Grenoble/CNRS Curated by ChEMBL					Assay Description Inhibition of recombinant TK1 (unknown origin)-mediated phosphorylation of [CH3-3H]deoxythymidine				Bioorg Med Chem 16: 6824-31 (2008) Article DOI: 10.1016/j.bmc.2008.05.065 BindingDB Entry DOI: 10.7270/Q26H4H62
					More data for this Ligand-Target Pair