BDBM50156570 1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-beta-D-ribofuranosyl)thymine::CHEMBL375569

SMILES: Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O

InChI Key: InChIKey=XJOHDYKWJQAIML-FDDDBJFASA-N

Data: 3 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 3 hits for monomerid = 50156570   

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)	BDBM50156570 (1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-b...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H15N3O5S/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)19-10)2-13-12(21)20-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,21)(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	3.50E+3	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
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50156570 (1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-b...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H15N3O5S/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)19-10)2-13-12(21)20-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,21)(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	3.50E+3	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 thymidine monophosphate kinase by enzyme-coupling based spectrophotometric assay				Bioorg Med Chem 21: 257-68 (2012) Article DOI: 10.1016/j.bmc.2012.10.018 BindingDB Entry DOI: 10.7270/Q2GB25BQ
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50156570 (1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-b...) Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H15N3O5S/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)19-10)2-13-12(21)20-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,21)(H,14,17,18)/t6-,7-,8-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+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 human 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