BDBM50154669 6-(4-Nitro-benzylsulfanyl)-9-(3''-trifluoromethyl-biphenyl-2-ylmethyl)-9H-purine::CHEMBL184288

SMILES: [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4-c4cccc(c4)C(F)(F)F)cnc23)cc1

InChI Key: InChIKey=FULIAINSSHZWML-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 = 50154669   

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))	BDBM50154669 (6-(4-Nitro-benzylsulfanyl)-9-(3''-trifluoromethyl-...) Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4-c4cccc(c4)C(F)(F)F)cnc23)cc1 Show InChI InChI=1S/C26H18F3N5O2S/c27-26(28,29)20-6-3-5-18(12-20)22-7-2-1-4-19(22)13-33-16-32-23-24(33)30-15-31-25(23)37-14-17-8-10-21(11-9-17)34(35)36/h1-12,15-16H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	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 nucleoside transport protein of human erythrocyte membrane				J Med Chem 47: 5441-50 (2004) Article DOI: 10.1021/jm049735v BindingDB Entry DOI: 10.7270/Q2Z31Z43
					More data for this Ligand-Target Pair