BDBM50223804 CHEMBL396133::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(fluoresceinyl)thiourea

SMILES: Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=GJPLWJLWVIJHMR-DFCKQENNSA-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 = 50223804   

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)	BDBM50223804 (CHEMBL396133 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...) Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C31H26N4O9S/c1-14-13-35(30(41)34-27(14)39)26-11-22(38)25(43-26)12-32-29(45)33-15-2-5-19-18(8-15)28(40)44-31(19)20-6-3-16(36)9-23(20)42-24-10-17(37)4-7-21(24)31/h2-10,13,22,25-26,36-38H,11-12H2,1H3,(H2,32,33,45)(H,34,39,41)/t22-,25+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Gent Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay				J Med Chem 50: 5281-92 (2007) Article DOI: 10.1021/jm0706158 BindingDB Entry DOI: 10.7270/Q2QJ7H1Z
					More data for this Ligand-Target Pair