Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 434.5 BDBM50290124

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50290124 (CHEMBL4172497) Show SMILES CC(=O)NCCCNc1nc(nc2CCN(Cc3ccc(F)cc3)Cc12)-c1ccccn1 Show InChI InChI=1S/C24H27FN6O/c1-17(32)26-12-4-13-28-23-20-16-31(15-18-6-8-19(25)9-7-18)14-10-21(20)29-24(30-23)22-5-2-3-11-27-22/h2-3,5-9,11H,4,10,12-16H2,1H3,(H,26,32)(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
University of Genoa Curated by ChEMBL					Assay Description Corrector activity at CFTR F508-del mutant (unknown origin) expressed in human CFBE41o cells harboring HS-YFP preincubated for 24 hrs followed by for...				Eur J Med Chem 144: 179-200 (2018) Article DOI: 10.1016/j.ejmech.2017.12.030 BindingDB Entry DOI: 10.7270/Q20K2C4K
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