Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM249351'   

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))	BDBM249351 (US10300060, Example 22-34 | US10765676, Example 22...) Show SMILES CCOc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)n2n1 Show InChI InChI=1S/C31H23F3N8O3/c1-2-44-28-12-11-27-36-18-26(42(27)41-28)19-5-8-23(9-6-19)45-30-37-16-22(17-38-30)39-29(43)40-25-14-21(31(32,33)34)7-10-24(25)20-4-3-13-35-15-20/h3-18H,2H2,1H3,(H2,39,40,43)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US9463192 (2016) BindingDB Entry DOI: 10.7270/Q22Z14FR
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249351 (US10300060, Example 22-34 | US10765676, Example 22...) Show SMILES CCOc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)n2n1 Show InChI InChI=1S/C31H23F3N8O3/c1-2-44-28-12-11-27-36-18-26(42(27)41-28)19-5-8-23(9-6-19)45-30-37-16-22(17-38-30)39-29(43)40-25-14-21(31(32,33)34)7-10-24(25)20-4-3-13-35-15-20/h3-18H,2H2,1H3,(H2,39,40,43)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US9763943 (2017) BindingDB Entry DOI: 10.7270/Q2ZW1P0X
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249351 (US10300060, Example 22-34 | US10765676, Example 22...) Show SMILES CCOc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)n2n1 Show InChI InChI=1S/C31H23F3N8O3/c1-2-44-28-12-11-27-36-18-26(42(27)41-28)19-5-8-23(9-6-19)45-30-37-16-22(17-38-30)39-29(43)40-25-14-21(31(32,33)34)7-10-24(25)20-4-3-13-35-15-20/h3-18H,2H2,1H3,(H2,39,40,43)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
ONO PHARMACEUTICAL CO., LTD. US Patent					Assay Description On the day before the assay, CellSenser TrkA-NFAT-bla CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) con...				US Patent US10765676 (2020) BindingDB Entry DOI: 10.7270/Q2VX0KKB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249351 (US10300060, Example 22-34 | US10765676, Example 22...) Show SMILES CCOc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)n2n1 Show InChI InChI=1S/C31H23F3N8O3/c1-2-44-28-12-11-27-36-18-26(42(27)41-28)19-5-8-23(9-6-19)45-30-37-16-22(17-38-30)39-29(43)40-25-14-21(31(32,33)34)7-10-24(25)20-4-3-13-35-15-20/h3-18H,2H2,1H3,(H2,39,40,43)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd					Assay Description On the day before the assay, CellSenser™ TrkA-NFAT-b1a CHO-K1 cells were suspended in an assay medium (Opti-MEM1 Reduced Serum Medium (Invitrogen) co...				Bioorg Med Chem Lett 19: 1654-7 (2009) BindingDB Entry DOI: 10.7270/Q2JH3PGF
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM249351 (US10300060, Example 22-34 | US10765676, Example 22...) Show SMILES CCOc1ccc2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)n2n1 Show InChI InChI=1S/C31H23F3N8O3/c1-2-44-28-12-11-27-36-18-26(42(27)41-28)19-5-8-23(9-6-19)45-30-37-16-22(17-38-30)39-29(43)40-25-14-21(31(32,33)34)7-10-24(25)20-4-3-13-35-15-20/h3-18H,2H2,1H3,(H2,39,40,43)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd.					Assay Description TrkA kinase-inhibiting activity in cell systems was measured using CHO-K1 cells expressing human TrkA and NFAT-bla (CellSenser TrkA-NFAT-bla CHO-K1 c...				Bioorg Med Chem 17: 2017-29 (2009) BindingDB Entry DOI: 10.7270/Q2WD42WT
					More data for this Ligand-Target Pair