BDBM50125760 2-Amino-8-(4-chloro-benzylsulfanyl)-1,9-dihydro-purin-6-one::CHEMBL276808

SMILES: Nc1nc2nc(SCc3ccc(Cl)cc3)[nH]c2c(=O)[nH]1

InChI Key: InChIKey=MVZVAYOBERRXEC-UHFFFAOYSA-N

Data: 1 KI  2 Kd

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 3 hits for monomerid = 50125760   

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
tRNA-guanine transglycosylase (TGT) (Zymomonas mobilis)	BDBM50125760 (2-Amino-8-(4-chloro-benzylsulfanyl)-1,9-dihydro-pu...) Show SMILES Nc1nc2nc(SCc3ccc(Cl)cc3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H10ClN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Philipps-Universität Marburg Curated by ChEMBL					Assay Description Inhibitory activity against eubacterial tRNA guanine transglycosylase (TGT) from Zymomonas mobilis				J Med Chem 46: 1133-43 (2003) Article DOI: 10.1021/jm0209937 BindingDB Entry DOI: 10.7270/Q2B27TNH
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase (Escherichia coli (strain K12))	BDBM50125760 (2-Amino-8-(4-chloro-benzylsulfanyl)-1,9-dihydro-pu...) Show SMILES Nc1nc2nc(SCc3ccc(Cl)cc3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H10ClN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Escherichia coli HPPK expressed in Escherichia coli BL21 (DE3) in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50125760 (2-Amino-8-(4-chloro-benzylsulfanyl)-1,9-dihydro-pu...) Show SMILES Nc1nc2nc(SCc3ccc(Cl)cc3)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H10ClN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to biotinylated Staphylococcus aureus HPPK in presence of 1 mM ATP by SPR assay				J Med Chem 59: 5248-63 (2016) BindingDB Entry DOI: 10.7270/Q2057HWV
					More data for this Ligand-Target Pair