BDBM50013091 2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-one::CHEMBL51613

SMILES: Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl

InChI Key: InChIKey=RZBANNTZMKJFNR-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50013091   

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...)	BDBM50013091 (2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...) Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	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 (strain SC16) (HHV-1) (Human h...)	BDBM50013091 (2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...) Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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 2				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)	BDBM50013091 (2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...) Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(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	1.00E+5	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
DNA polymerase (alpha/delta/epsilon) (Homo sapiens (Human))	BDBM50013091 (2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...) Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Medical School Curated by ChEMBL					Assay Description Inhibition against DNA polymerase by direct assay with activated DNA and 25 uM dNTPs lacking the expected competitor substrate				J Med Chem 38: 1820-5 (1995) BindingDB Entry DOI: 10.7270/Q29K4983
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 2)	BDBM50013091 (2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...) Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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-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
DNA helicase/primase complex protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50013091 (2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...) Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Medical School Curated by ChEMBL					Assay Description Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HSV-1-infected CV-1 cells				J Med Chem 38: 1820-5 (1995) BindingDB Entry DOI: 10.7270/Q29K4983
					More data for this Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon) (Homo sapiens (Human))	BDBM50013091 (2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...) Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Medical School Curated by ChEMBL					Assay Description Inhibition against DNA polymerase by direct assay with activated DNA and 25 uM dNTPs lacking the expected competitor substrate				J Med Chem 38: 1820-5 (1995) BindingDB Entry DOI: 10.7270/Q29K4983
					More data for this Ligand-Target Pair
DNA topoisomerase I (Topo I) (Homo sapiens (Human))	BDBM50013091 (2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...) Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Medical School Curated by ChEMBL					Assay Description Inhibition against DNA topoisomerase I by direct assay with activated DNA and 25 uM dNTPs including [3H]-dTTP				J Med Chem 38: 1820-5 (1995) BindingDB Entry DOI: 10.7270/Q29K4983
					More data for this Ligand-Target Pair
DNA helicase/primase complex protein (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50013091 (2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-o...) Show SMILES Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl Show InChI InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Medical School Curated by ChEMBL					Assay Description Inhibition against Primase by coupled primase-DNA polymerase-I assay with the two subunit recombinant HSV-1 helicase primase				J Med Chem 38: 1820-5 (1995) BindingDB Entry DOI: 10.7270/Q29K4983
					More data for this Ligand-Target Pair