BDBM50412000 CHEMBL410278

SMILES: OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12

InChI Key: InChIKey=VAQMNFPQRLLRMG-MBMVNNNZSA-N

Data: 1 IC50

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 = 50412000   

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))	BDBM50412000 (CHEMBL410278) Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12 Show InChI InChI=1S/C17H18N6O6/c24-6-11-13(25)14(26)17(29-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(4-2-9)23(27)28/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,18,19,20)/t11-,13-,14+,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to ENT1 transporter				Bioorg Med Chem 16: 3848-65 (2008) Article DOI: 10.1016/j.bmc.2008.01.044 BindingDB Entry DOI: 10.7270/Q2GM8866
					More data for this Ligand-Target Pair