BDBM50013093 2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin-6-one::CHEMBL16026

SMILES: CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C

InChI Key: InChIKey=JUIJZZPKQVQVDL-UHFFFAOYSA-N

Data: 3 KI  4 IC50  1 EC50

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 8 hits for monomerid = 50013093   

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
DNA polymerase IIIC (Bacillus subtilis)	BDBM50013093 (2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...) Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Inhibitory constant against DNA polymerases IIIC produced by Bacillus subtilis; (a)				Bioorg Med Chem Lett 15: 729-32 (2005) Article DOI: 10.1016/j.bmcl.2004.11.016 BindingDB Entry DOI: 10.7270/Q2125S58
					More data for this Ligand-Target Pair
DNA polymerase IIIE (Bacillus subtilis)	BDBM50013093 (2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...) Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.48E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc. Curated by ChEMBL					Assay Description Inhibitory constant against DNA polymerases IIIE from Bacillus subtilis; (a)				Bioorg Med Chem Lett 15: 729-32 (2005) Article DOI: 10.1016/j.bmcl.2004.11.016 BindingDB Entry DOI: 10.7270/Q2125S58
					More data for this Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon) (Homo sapiens (Human))	BDBM50013093 (2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...) Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.76E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50013093 (2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...) Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.92E+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-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 1)	BDBM50013093 (2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...) Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+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 (strain SC16) (HHV-1) (Human h...)	BDBM50013093 (2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...) Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+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 2)	BDBM50013093 (2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...) Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.94E+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...)	BDBM50013093 (2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...) Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Istituto di Genetica Biochimica ed Evoluzionistica Curated by ChEMBL					Assay Description Inhibition of (-)-[3H]-nicotine binding to rat brain membranes				J Med Chem 31: 1496-500 (1988) BindingDB Entry DOI: 10.7270/Q2930TR7
					More data for this Ligand-Target Pair