BDBM50497944 CHEMBL3323418

SMILES: COc1ccc(cc1Nc1nc-2c(CCCCc3nc(NC(=O)C(C)(C)C)sc-23)s1)[N+]([O-])=O

InChI Key: InChIKey=HHUBRONSUNLCJT-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50497944   

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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50497944 (CHEMBL3323418) Show SMILES COc1ccc(cc1Nc1nc-2c(CCCCc3nc(NC(=O)C(C)(C)C)sc-23)s1)[N+]([O-])=O Show InChI InChI=1S/C22H25N5O4S2/c1-22(2,3)19(28)26-21-23-13-7-5-6-8-16-17(18(13)33-21)25-20(32-16)24-14-11-12(27(29)30)9-10-15(14)31-4/h9-11H,5-8H2,1-4H3,(H,24,25)(H,23,26,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Correction of defective trafficking of human deltaF508 mutant CFTR protein expressed in FRT epithelial cells coexpressing YFP-H148Q/I152L protein ass...				J Med Chem 57: 6729-38 (2014) Article DOI: 10.1021/jm5007885 BindingDB Entry DOI: 10.7270/Q2G163TK
					More data for this Ligand-Target Pair