BDBM50135091 1-((1R,3S,4S,6S)-4-Hydroxy-5-hydroxymethyl-bicyclo[3.1.0]hex-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((1S,2S,4S,5R)-4-Hydroxy-5-hydroxymethyl-bicyclo[3.1.0]hex-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE::CHEMBL146673

SMILES: Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O

InChI Key: InChIKey=NOWRLNPOENZFHP-ARHDFHRDSA-N

Data: 1 KI

PDB links: 2 PDB IDs match this monomer.

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 = 50135091   

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))	BDBM50135091 (1-((1R,3S,4S,6S)-4-Hydroxy-5-hydroxymethyl-bicyclo...) Show SMILES Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.61E+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