Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform TrkA-I of High affinity nerve growth factor receptor (TrkAI)' and Ligand = 'BDBM204847'   

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
Isoform TrkA-I of High affinity nerve growth factor receptor (TrkAI) (Homo sapiens (Human))	BDBM204847 (US9242977, 84-41) Show SMILES CC(C)c1ncc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(F)(F)F Show InChI InChI=1S/C27H24F3N7O3S/c1-15(2)23-20(10-17(11-31-23)27(28,29)30)36-24(39)35-18-12-32-25(33-13-18)40-19-7-5-16(6-8-19)21-14-34-26(41-21)37-9-3-4-22(37)38/h5-8,10-15H,3-4,9H2,1-2H3,(H2,35,36,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description TrkA-inhibiting activity was measured according to the following method using LanthaScreen kinase assay reagents (Invitrogen; Fluorescein-Poly GT, La...				US Patent US9242977 (2016) BindingDB Entry DOI: 10.7270/Q2639NJZ
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