BDBM50159137 9-Benzyl-6-(4-nitro-benzylsulfanyl)-8-pyrrolidin-1-yl-9H-purine::CHEMBL361332

SMILES: [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4)c(nc23)N2CCCC2)cc1

InChI Key: InChIKey=XSMKJAYYOGQJTH-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50159137   

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
Equilibrative Nucleoside Transporter 1 (ENT1) (Homo sapiens (Human))	BDBM50159137 (9-Benzyl-6-(4-nitro-benzylsulfanyl)-8-pyrrolidin-1...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4)c(nc23)N2CCCC2)cc1 Show InChI InChI=1S/C23H22N6O2S/c30-29(31)19-10-8-18(9-11-19)15-32-22-20-21(24-16-25-22)28(14-17-6-2-1-3-7-17)23(26-20)27-12-4-5-13-27/h1-3,6-11,16H,4-5,12-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes				J Med Chem 48: 321-9 (2005) Article DOI: 10.1021/jm049303k BindingDB Entry DOI: 10.7270/Q29024J0
					More data for this Ligand-Target Pair