BDBM50423778 Leukerin::MERCAPTOPURINE::Mercaleukin::Mercaptopurine anhydrous::Purinethol

SMILES: S=c1[nH]cnc2nc[nH]c12

InChI Key: InChIKey=GLVAUDGFNGKCSF-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 = 50423778   

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
Bile salt export pump (Homo sapiens (Human))	BDBM50423778 (Leukerin | MERCAPTOPURINE | Mercaleukin | Mercapto...) Show SMILES S=c1[nH]cnc2nc[nH]c12 Show InChI InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem	PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Mycobacterium tuberculosis)	BDBM50423778 (Leukerin | MERCAPTOPURINE | Mercaleukin | Mercapto...) Show SMILES S=c1[nH]cnc2nc[nH]c12 Show InChI InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.94E+4	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