Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.4 BDBM50463448

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))	BDBM50463448 (CHEMBL4243267) Show SMILES [H][C@]12C[N@](O[C@@H]1c1ccccc1)[C@H](CCCCCCCCC)C[C@@H]2O |r| Show InChI InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-11-14-18-15-20(23)19-16-22(18)24-21(19)17-12-9-8-10-13-17/h8-10,12-13,18-21,23H,2-7,11,14-16H2,1H3/t18-,19-,20+,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Prince of Songkla University Curated by ChEMBL					Assay Description Inhibition of CFTR-mediated forskolin-induced chloride secretion in human T84 cells after 15 mins by short-circuit current analysis				Bioorg Med Chem 26: 4502-4508 (2018) Article DOI: 10.1016/j.bmc.2018.07.036 BindingDB Entry DOI: 10.7270/Q2GF0X4D
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