BDBM50164969 (S)-2-(3-Methoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-pentyl-phenyl)-amide::CHEMBL191294

SMILES: CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC)c2)cc1

InChI Key: InChIKey=XWSBOTOJAPKMGC-MHZLTWQESA-N

Data: 1 EC50

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 = 50164969   

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))	BDBM50164969 ((S)-2-(3-Methoxy-benzoyl)-1,2,3,4-tetrahydro-isoqu...) Show SMILES CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC)c2)cc1 Show InChI InChI=1S/C29H32N2O3/c1-3-4-5-9-21-14-16-25(17-15-21)30-28(32)27-19-22-10-6-7-11-24(22)20-31(27)29(33)23-12-8-13-26(18-23)34-2/h6-8,10-18,27H,3-5,9,19-20H2,1-2H3,(H,30,32)/t27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	176	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR				Bioorg Med Chem Lett 15: 2087-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.041 BindingDB Entry DOI: 10.7270/Q2J965WP
					More data for this Ligand-Target Pair