BDBM50229855 CHEMBL101651

SMILES: CCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1

InChI Key: InChIKey=VZTHIVFIPCEWJI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50229855   

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 (Human herpesvirus 2)	BDBM50229855 (CHEMBL101651) Show SMILES CCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C14H15N5O/c1-2-3-9-4-6-10(7-5-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h4-8H,2-3H2,1H3,(H3,15,16,17,18,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50229855 (CHEMBL101651) Show SMILES CCCc1ccc(Nc2nc(O)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C14H15N5O/c1-2-3-9-4-6-10(7-5-9)17-14-18-12-11(13(20)19-14)15-8-16-12/h4-8H,2-3H2,1H3,(H3,15,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 thymidine kinase isolated from HeLa cells				J Med Chem 35: 2979-83 (1992) BindingDB Entry DOI: 10.7270/Q29G5Q2Q
					More data for this Ligand-Target Pair