Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50131918'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50131918 (Phosphoric acid mono-[3-azidomethyl-4-hydroxy-5-(5...) Show SMILES Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](CN=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O Show InChI InChI=1S/C11H16N5O8P/c1-5-3-16(11(19)14-9(5)18)10-8(17)6(2-13-15-12)7(24-10)4-23-25(20,21)22/h3,6-8,10,17H,2,4H2,1H3,(H,14,18,19)(H2,20,21,22)/p-2/t6-,7-,8-,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)				J Med Chem 46: 3811-21 (2003) Article DOI: 10.1021/jm021108n BindingDB Entry DOI: 10.7270/Q2MS3TGG
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