BDBM21872 2,9-disubstituted 6-oxopurine, 6::9-(2-hydroxyethyl)-2-(phenylamino)-6,9-dihydro-3H-purin-6-one::CHEMBL347128

SMILES: OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O

InChI Key: InChIKey=STQPWMSEOLADHB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 21872   

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 1)	BDBM21872 (2,9-disubstituted 6-oxopurine, 6 | 9-(2-hydroxyeth...) Show SMILES OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O Show InChI InChI=1S/C13H13N5O2/c19-7-6-18-8-14-10-11(18)16-13(17-12(10)20)15-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H2,15,16,17,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.5	37
GLSynthesis Inc.					Assay Description Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...				J Med Chem 48: 3919-29 (2005) Article DOI: 10.1021/jm049059x BindingDB Entry DOI: 10.7270/Q2D21VWD
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM21872 (2,9-disubstituted 6-oxopurine, 6 | 9-(2-hydroxyeth...) Show SMILES OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O Show InChI InChI=1S/C13H13N5O2/c19-7-6-18-8-14-10-11(18)16-13(17-12(10)20)15-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H2,15,16,17,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of HSV-2 thymidine kinase, 2 microM [3H]-thymidine and ATP as phosphate donor				J Med Chem 38: 49-57 (1995) BindingDB Entry DOI: 10.7270/Q2G44PBM
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1)	BDBM21872 (2,9-disubstituted 6-oxopurine, 6 | 9-(2-hydroxyeth...) Show SMILES OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O Show InChI InChI=1S/C13H13N5O2/c19-7-6-18-8-14-10-11(18)16-13(17-12(10)20)15-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H2,15,16,17,20)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of HSV-1 thymidine kinase, 1 microM [3H]-thymidine and ATP as phosphate donor				J Med Chem 38: 49-57 (1995) BindingDB Entry DOI: 10.7270/Q2G44PBM
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM21872 (2,9-disubstituted 6-oxopurine, 6 | 9-(2-hydroxyeth...) Show SMILES OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O Show InChI InChI=1S/C13H13N5O2/c19-7-6-18-8-14-10-11(18)16-13(17-12(10)20)15-9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H2,15,16,17,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc.					Assay Description Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...				J Med Chem 48: 3919-29 (2005) Article DOI: 10.1021/jm049059x BindingDB Entry DOI: 10.7270/Q2D21VWD
					More data for this Ligand-Target Pair