BDBM50036307 CHEMBL3353069

SMILES: COc1cc(cc(OC)c1OC)C(=O)OCCN1CCN(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1

InChI Key: InChIKey=CERXKOFDWRFKLC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50036307   

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 2 (Rattus norvegicus)	BDBM50036307 (CHEMBL3353069) Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCN1CCN(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 Show InChI InChI=1S/C28H38N2O10/c1-33-21-15-19(16-22(34-2)25(21)37-5)27(31)39-13-11-29-7-9-30(10-8-29)12-14-40-28(32)20-17-23(35-3)26(38-6)24(18-20)36-4/h15-18H,7-14H2,1-6H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	977	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 rat ENT2 expressed in rat H9c2 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
Equilibrative Nucleoside Transporter 1 (ENT1) (Homo sapiens (Human))	BDBM50036307 (CHEMBL3353069) Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCN1CCN(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 Show InChI InChI=1S/C28H38N2O10/c1-33-21-15-19(16-22(34-2)25(21)37-5)27(31)39-13-11-29-7-9-30(10-8-29)12-14-40-28(32)20-17-23(35-3)26(38-6)24(18-20)36-4/h15-18H,7-14H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	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