BDBM140908 US8912224, 346

SMILES: O=C(CN1CCCC1)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1

InChI Key: InChIKey=JJMALNUNKLAYCQ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 140908   

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
Sodium/calcium exchanger 1(NCX1) (Homo sapiens (Human))	BDBM140908 (US8912224, 346) Show SMILES O=C(CN1CCCC1)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1 Show InChI InChI=1S/C25H27N3O3S/c29-24(17-28-12-4-5-13-28)26-15-21-16-27-25(32-21)30-20-9-11-23-19(14-20)8-10-22(31-23)18-6-2-1-3-7-18/h1-3,6-7,9,11,14,16,22H,4-5,8,10,12-13,15,17H2,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Patent					Assay Description The assay is based on the monitoring of intracellular Ca2+concentrations using the calcium-sensitive dye Fluo-4. CHO cells expressing NCX1 were loade...				US Patent US8912224 (2014) BindingDB Entry DOI: 10.7270/Q22F7M52
					More data for this Ligand-Target Pair