Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM364459'   

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))	BDBM364459 ((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...) Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1 Show InChI InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2FB5576
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM364459 ((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...) Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1 Show InChI InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant full length human TRKA expressed in U2OS cells using Poly(Glu:Tyr) as substrate after 30 mins by scintillation counting ass...				Eur J Med Chem 175: 129-148 (2019) Article DOI: 10.1016/j.ejmech.2019.04.053 BindingDB Entry DOI: 10.7270/Q25M691T
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM364459 ((R or S)-2-fluoro-N-[6-(1- hydroxyethyl)-2-phenyl-...) Show SMILES CC(O)c1cnc2c(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)n(nc2c1)-c1ccccc1 Show InChI InChI=1S/C26H20F4N6O2/c1-14(37)15-10-22-23(31-13-15)24(36(34-22)16-6-4-3-5-7-16)32-25(38)18-11-17(21-8-9-35(2)33-21)19(12-20(18)27)26(28,29)30/h3-14,37H,1-2H3,(H,32,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn					Assay Description TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...				J Med Chem 48: 7688-707 (2005) BindingDB Entry DOI: 10.7270/Q2FB5576
					More data for this Ligand-Target Pair