BDBM50004462 CHEMBL3233329

SMILES: NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=XOIZLOGJRADKGZ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50004462   

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
Thymidine Phosphorylase (TP) (Homo sapiens (Human))	BDBM50004462 (CHEMBL3233329) Show SMILES NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N6OS2/c15-14(16,17)7-3-1-6(2-4-7)5-8-9(19-11(18)25)22-23-10(8)20-12(26)21-13(23)24/h1-4H,5H2,(H3,18,19,22,25)(H2,20,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Mixed-type inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidide to thymine by Li...				Eur J Med Chem 78: 294-303 (2014) Article DOI: 10.1016/j.ejmech.2014.03.063 BindingDB Entry DOI: 10.7270/Q2SF2XP4
					More data for this Ligand-Target Pair
Thymidine Phosphorylase (TP) (Homo sapiens (Human))	BDBM50004462 (CHEMBL3233329) Show SMILES NC(=S)Nc1nn2c([nH]c(=S)[nH]c2=O)c1Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H11F3N6OS2/c15-14(16,17)7-3-1-6(2-4-7)5-8-9(19-11(18)25)22-23-10(8)20-12(26)21-13(23)24/h1-4H,5H2,(H3,18,19,22,25)(H2,20,21,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human recombinant thymidine phosphorylase expressed in Escherichia coli assessed as conversion of thymidine to thymine after 4 to 20 mi...				Eur J Med Chem 78: 294-303 (2014) Article DOI: 10.1016/j.ejmech.2014.03.063 BindingDB Entry DOI: 10.7270/Q2SF2XP4
					More data for this Ligand-Target Pair