BDBM50156569 1-[3-aminomethyl-2-chloro-2,3-dideoxy-beta-D-ribofuranosyl]thymine::CHEMBL222242

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

InChI Key: InChIKey=WIWKWCBEQQDQDJ-FDDDBJFASA-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 = 50156569   

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
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50156569 (1-[3-aminomethyl-2-chloro-2,3-dideoxy-beta-D-ribof...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN)[C@H]2Cl)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H16ClN3O4/c1-5-3-15(11(18)14-9(5)17)10-8(12)6(2-13)7(4-16)19-10/h3,6-8,10,16H,2,4,13H2,1H3,(H,14,17,18)/t6-,7-,8-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay				J Med Chem 47: 6187-94 (2004) Article DOI: 10.1021/jm040847w BindingDB Entry DOI: 10.7270/Q24M95B1
					More data for this Ligand-Target Pair