BDBM50164975 (R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid (4-heptyl-phenyl)-amide::CHEMBL192245

SMILES: CCCCCCCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1

InChI Key: InChIKey=IVDKAAFMRVBVQS-UUWRZZSWSA-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 = 50164975   

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))	BDBM50164975 ((R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoqu...) Show SMILES CCCCCCCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C36H38N2O3/c1-2-3-4-5-7-13-27-20-22-31(23-21-27)37-35(39)34-25-28-14-10-11-15-30(28)26-38(34)36(40)29-16-12-19-33(24-29)41-32-17-8-6-9-18-32/h6,8-12,14-24,34H,2-5,7,13,25-26H2,1H3,(H,37,39)/t34-/m1/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	230	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