BDBM50135087 (1S,2S,4S,5R)-5-Bromo-1-[4-hydroxy-5-(hydroxymethyl)-bicyclo[3.1.0]hex-2-yl]-1,3-dihydropyrimidine-2,4-dione::5-Bromo-1-((1R,3S,4S,6S)-4-hydroxy-5-hydroxymethyl-bicyclo[3.1.0]hex-2-yl)-1H-pyrimidine-2,4-dione::5-Bromo-1-((1S,2S,4S,5R)-4-hydroxy-5-hydroxymethyl-bicyclo[3.1.0]hex-2-yl)-1H-pyrimidine-2,4-dione::CHEMBL413063

SMILES: OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cc(Br)c(=O)[nH]c1=O

InChI Key: InChIKey=JFXWLOHKRGMICX-PUZBXXCTSA-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 = 50135087   

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 (Homo sapiens (Human))	BDBM50135087 ((1S,2S,4S,5R)-5-Bromo-1-[4-hydroxy-5-(hydroxymethy...) Show SMILES OC[C@@]12C[C@@H]1[C@H](C[C@@H]2O)n1cc(Br)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C11H13BrN2O4/c12-6-3-14(10(18)13-9(6)17)7-1-8(16)11(4-15)2-5(7)11/h3,5,7-8,15-16H,1-2,4H2,(H,13,17,18)/t5-,7+,8+,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute at Frederick Curated by ChEMBL					Assay Description Binding affinity constant against HSV-1 thymidine kinase				J Med Chem 46: 5045-54 (2003) Article DOI: 10.1021/jm030241s BindingDB Entry DOI: 10.7270/Q2BR8SXZ
					More data for this Ligand-Target Pair