BDBM50108009 2-Amino-8-mercapto-1,9-dihydro-purin-6-one::2-amino-8-mercapto-1H-purin-6(9H)-one::2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one::CHEMBL178006::CHEMBL46065

SMILES: Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1

InChI Key: InChIKey=JHEKNTQSGTVPAO-UHFFFAOYSA-N

Data: 2 IC50  4 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 6 hits for monomerid = 50108009   

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
Bacterial dihydropteroate synthase (Escherichia coli (strain K12))	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.62E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli DHPS by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus HPPK after 20 mins by luciferase reporter gene assay				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
Ricin (Ricinus communis)	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes				J Med Chem 45: 90-8 (2001) BindingDB Entry DOI: 10.7270/Q2F190F7
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis in presence of ATP				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus recombinant HPPK by surface plasmon resonance analysis				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair
2-amino-4-hydroxy-6-hydroxymethyldihydropteridin e pyrophosphokinase (Staphylococcus aureus)	BDBM50108009 (2-Amino-8-mercapto-1,9-dihydro-purin-6-one | 2-ami...) Show SMILES Nc1nc2[nH]c(=S)[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus aureus HPPK by isothermal calorimetry				J Med Chem 57: 9612-26 (2014) Article DOI: 10.1021/jm501417f BindingDB Entry DOI: 10.7270/Q2HH6MP4
					More data for this Ligand-Target Pair