BDBM50036313 CHEMBL3353076

SMILES: COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(Cc2ccccc2)CC1

InChI Key: InChIKey=LCGPTBYKBNJRTM-UHFFFAOYSA-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 = 50036313   

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))	BDBM50036313 (CHEMBL3353076) Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H34N2O5/c1-29-22-17-21(18-23(30-2)24(22)31-3)25(28)32-16-8-13-26-11-7-12-27(15-14-26)19-20-9-5-4-6-10-20/h4-6,9-10,17-18H,7-8,11-16,19H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay				Bioorg Med Chem Lett 24: 5801-4 (2014) Article DOI: 10.1016/j.bmcl.2014.10.026 BindingDB Entry DOI: 10.7270/Q26M38FZ
					More data for this Ligand-Target Pair