Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50164965'   

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))	BDBM50164965 ((S)-2-(3-Isopropoxy-benzoyl)-1,2,3,4-tetrahydro-is...) Show SMILES CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC(C)C)c2)cc1 Show InChI InChI=1S/C31H36N2O3/c1-4-5-6-10-23-15-17-27(18-16-23)32-30(34)29-20-24-11-7-8-12-26(24)21-33(29)31(35)25-13-9-14-28(19-25)36-22(2)3/h7-9,11-19,22,29H,4-6,10,20-21H2,1-3H3,(H,32,34)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	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
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