BDBM50531738 CHEMBL4542724

SMILES: Ic1c(CNC2CCCCC2)[nH]c(=O)[nH]c1=O

InChI Key: InChIKey=KIHCCUSNYDCZRO-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50531738   

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 (Homo sapiens (Human))	BDBM50531738 (CHEMBL4542724) Show SMILES Ic1c(CNC2CCCCC2)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C11H16IN3O2/c12-9-8(14-11(17)15-10(9)16)6-13-7-4-2-1-3-5-7/h7,13H,1-6H2,(H2,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Pampa Curated by ChEMBL					Assay Description Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...				J Med Chem 62: 1231-1245 (2019) Article DOI: 10.1021/acs.jmedchem.8b01305
					More data for this Ligand-Target Pair