BDBM50036309 CHEMBL3353072

SMILES: COc1cc(cc(OC)c1OC)C(=O)OCCCCN1CC(C)N(CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1C

InChI Key: InChIKey=SFVXRVCUUFTHRJ-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 = 50036309   

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)	BDBM50036309 (CHEMBL3353072) Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCCN1CC(C)N(CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1C Show InChI InChI=1S/C34H50N2O10/c1-23-21-36(14-10-12-16-46-34(38)26-19-29(41-5)32(44-8)30(20-26)42-6)24(2)22-35(23)13-9-11-15-45-33(37)25-17-27(39-3)31(43-7)28(18-25)40-4/h17-20,23-24H,9-16,21-22H2,1-8H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	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))	BDBM50036309 (CHEMBL3353072) Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCCN1CC(C)N(CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1C Show InChI InChI=1S/C34H50N2O10/c1-23-21-36(14-10-12-16-46-34(38)26-19-29(41-5)32(44-8)30(20-26)42-6)24(2)22-35(23)13-9-11-15-45-33(37)25-17-27(39-3)31(43-7)28(18-25)40-4/h17-20,23-24H,9-16,21-22H2,1-8H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	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