BDBM50013089 2-(3-Chloro-4-methyl-phenylamino)-1,9-dihydro-purin-6-one::CHEMBL63463

SMILES: Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl

InChI Key: InChIKey=JRBVNMWTAAIGOF-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 = 50013089   

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 (strain SC16) (HHV-1) (Human h...)	BDBM50013089 (2-(3-Chloro-4-methyl-phenylamino)-1,9-dihydro-puri...) Show SMILES Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C12H10ClN5O/c1-6-2-3-7(4-8(6)13)16-12-17-10-9(11(19)18-12)14-5-15-10/h2-5H,1H3,(H3,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+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
Thymidine kinase (Human herpesvirus 2)	BDBM50013089 (2-(3-Chloro-4-methyl-phenylamino)-1,9-dihydro-puri...) Show SMILES Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C12H10ClN5O/c1-6-2-3-7(4-8(6)13)16-12-17-10-9(11(19)18-12)14-5-15-10/h2-5H,1H3,(H3,14,15,16,17,18,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.51E+3	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...)	BDBM50013089 (2-(3-Chloro-4-methyl-phenylamino)-1,9-dihydro-puri...) Show SMILES Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C12H10ClN5O/c1-6-2-3-7(4-8(6)13)16-12-17-10-9(11(19)18-12)14-5-15-10/h2-5H,1H3,(H3,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+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 TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1				J Med Chem 33: 203-6 (1990) BindingDB Entry DOI: 10.7270/Q2B8573M
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1)	BDBM50013089 (2-(3-Chloro-4-methyl-phenylamino)-1,9-dihydro-puri...) Show SMILES Cc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C12H10ClN5O/c1-6-2-3-7(4-8(6)13)16-12-17-10-9(11(19)18-12)14-5-15-10/h2-5H,1H3,(H3,14,15,16,17,18,19)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of TdR phosphorylation using thymidine kinase assay for herpes simplex virus type 1				J Med Chem 33: 203-6 (1990) BindingDB Entry DOI: 10.7270/Q2B8573M
					More data for this Ligand-Target Pair