BDBM50000976 CHEMBL3229802

SMILES: CC(=O)NCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O

InChI Key: InChIKey=XGIXUEYSCCUFIN-QJPTWQEYSA-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 = 50000976   

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 kinase, cytosolic (Cricetulus griseus)	BDBM50000976 (CHEMBL3229802) Show SMILES CC(=O)NCCNC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C14H22N4O5/c1-8-7-18(14(22)17-13(8)21)12-5-10(20)11(23-12)6-15-3-4-16-9(2)19/h7,10-12,15,20H,3-6H2,1-2H3,(H,16,19)(H,17,21,22)/t10-,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of thymidine kinase in BHK21 (C13) cells using thymidine as substrate assessed as formation of TMP by Lineweaver-Burk plot ana...				J Med Chem 22: 621-31 (1979) BindingDB Entry DOI: 10.7270/Q2WH2RHF
					More data for this Ligand-Target Pair