BDBM50334271 6-(methylthio)-9H-purin-2-amine::6-methylsulfanyl-7H-purin-2-amine::CHEMBL1172777

SMILES: CSc1nc(N)nc2nc[nH]c12

InChI Key: InChIKey=YEGKYFQLKYGHAR-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50334271   

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
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM50334271 (6-(methylthio)-9H-purin-2-amine | 6-methylsulfanyl...) Show SMILES CSc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	3.16E+5	n/a	n/a	n/a	n/a	n/a
Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis				Bioorg Med Chem 18: 4769-74 (2011) Article DOI: 10.1016/j.bmc.2010.05.009 BindingDB Entry DOI: 10.7270/Q2TQ62T5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50334271 (6-(methylthio)-9H-purin-2-amine | 6-methylsulfanyl...) Show SMILES CSc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
PharmaDesign, Inc. Curated by ChEMBL					Assay Description Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay				Bioorg Med Chem 19: 486-9 (2011) Article DOI: 10.1016/j.bmc.2010.11.004 BindingDB Entry DOI: 10.7270/Q2JH3MGM
					More data for this Ligand-Target Pair