Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50416576'   

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))	BDBM50416576 (CHEMBL1222176) Show SMILES Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1C |(18.88,.23,;20.34,.7,;20.83,2.16,;22.37,2.14,;22.84,.67,;21.58,-.22,;24.29,.18,;24.3,-1.36,;25.63,-2.12,;25.63,-3.66,;26.97,-4.43,;28.3,-3.66,;28.3,-2.11,;26.96,-1.34,;26.96,.18,;25.62,.95,;25.94,2.46,;25.02,3.69,;23.49,3.52,;25.64,5.11,;24.73,6.35,;27.18,5.28,;27.8,6.69,;28.09,4.04,;29.62,4.21,;27.47,2.63,;28.1,1.22,;29.43,.44,;30.76,1.21,;32.09,.44,;32.09,-1.11,;30.75,-1.88,;29.42,-1.1,;29.01,-2.58,)| Show InChI InChI=1S/C27H24N4O3/c1-15-9-5-6-10-17(15)23-21-24(29(3)27(33)30(4)26(21)32)25-22(20-14-13-16(2)34-20)28-18-11-7-8-12-19(18)31(23)25/h5-14,22,28H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human CFTR expressed in rat FRT cells coexpressing halide indicator YFP-H148Q assessed as inhibition of halide influx preincubated for ...				J Med Chem 52: 6447-55 (2009) Article DOI: 10.1021/jm9009873 BindingDB Entry DOI: 10.7270/Q28W3DHW
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