BDBM50400449 CHEMBL2179044

SMILES: COc1cccc(NC(=O)NC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)c1

InChI Key: InChIKey=YAOKZMJVVGYFMH-RRFJBIMHSA-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 = 50400449   

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, putative (Plasmodium falciparum (isolate 3D7))	BDBM50400449 (CHEMBL2179044) Show SMILES COc1cccc(NC(=O)NC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)c1 |r| Show InChI InChI=1S/C18H22N4O6/c1-10-9-22(18(26)21-16(10)24)15-7-13(23)14(28-15)8-19-17(25)20-11-4-3-5-12(6-11)27-2/h3-6,9,13-15,23H,7-8H2,1-2H3,(H2,19,20,25)(H,21,24,26)/t13-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay				J Med Chem 55: 10948-57 (2012) Article DOI: 10.1021/jm301328h BindingDB Entry DOI: 10.7270/Q2H1334S
					More data for this Ligand-Target Pair