BDBM50021777 2-Amino-9-(4-hydroxy-3-hydroxymethyl-but-2-enyl)-1,9-dihydro-purin-6-one::CHEMBL306477

SMILES: Nc1nc2n(CC=C(CO)CO)cnc2c(=O)[nH]1

InChI Key: InChIKey=XXQDQFMZLCTDTI-UHFFFAOYSA-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 = 50021777   

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))	BDBM50021777 (2-Amino-9-(4-hydroxy-3-hydroxymethyl-but-2-enyl)-1...) Show SMILES Nc1nc2n(CC=C(CO)CO)cnc2c(=O)[nH]1 |(-1.17,-10.79,;.17,-10.04,;1.48,-10.8,;2.83,-10.04,;4.29,-10.48,;4.78,-11.96,;6.51,-11.96,;7.73,-13.11,;9.14,-12.79,;9.3,-11.38,;7.83,-14.78,;6.74,-15.85,;5.2,-9.23,;4.27,-8.01,;2.82,-8.5,;1.48,-7.73,;1.48,-6.19,;.17,-8.5,)| Show InChI InChI=1S/C10H13N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h1,5,16-17H,2-4H2,(H3,11,13,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity was determined against Herpes simplex virus (HSV) -1 thymidine kinase in vero cell monolayer culture				J Med Chem 30: 943-7 (1987) BindingDB Entry DOI: 10.7270/Q2HX1BNM
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