Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [T790M]' and Ligand = 'BDBM228118'   

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
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM228118 ((e)-n-(4-((3-chloro-4-(pyridin-2-ylmethoxy)phenyl)...) Show SMILES Clc1cc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NC(=O)\C=C\CN4C[C@H]5OCCO[C@H]5C4)cc23)ccc1OCc1ccccn1 |r| Show InChI InChI=1S/C34H35ClN6O6/c35-26-14-22(6-7-29(26)46-19-23-4-1-2-9-36-23)39-34-25-15-28(30(16-27(25)37-21-38-34)47-24-8-11-43-20-24)40-33(42)5-3-10-41-17-31-32(18-41)45-13-12-44-31/h1-7,9,14-16,21,24,31-32H,8,10-13,17-20H2,(H,40,42)(H,37,38,39)/b5-3+/t24-,31-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	7.5	25
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Materials used include HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid), Brij-35 (dodecyl polyglycol ether), DTT (dithiothreitol), EDTA (et...				US Patent US9556191 (2017) BindingDB Entry DOI: 10.7270/Q2FX7CF0
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