Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM50446393'   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446393 (CHEMBL3109644 | US9181261, 74) Show SMILES CC1(C)CN(C(=O)N1Cc1cccc(c1)-c1nccs1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H20F3N3O2S/c1-21(2)14-27(17-6-8-18(9-7-17)30-22(23,24)25)20(29)28(21)13-15-4-3-5-16(12-15)19-26-10-11-31-19/h3-12H,13-14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of TrkA (unknown origin) using fluorescently labeled peptide substrate after 3 hrs				ACS Med Chem Lett 5: 8-9 (2014) Article DOI: 10.1021/ml4005073 BindingDB Entry DOI: 10.7270/Q2B56M6V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50446393 (CHEMBL3109644 | US9181261, 74) Show SMILES CC1(C)CN(C(=O)N1Cc1cccc(c1)-c1nccs1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H20F3N3O2S/c1-21(2)14-27(17-6-8-18(9-7-17)30-22(23,24)25)20(29)28(21)13-15-4-3-5-16(12-15)19-26-10-11-31-19/h3-12H,13-14H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA kinase activity was measured as the ability of the enzyme to phosphorylate a fluorescently labeled peptide substrate. Buffer salts, reagents, an...				US Patent US9181261 (2015) BindingDB Entry DOI: 10.7270/Q24F1PJ5
					More data for this Ligand-Target Pair