Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM249334'   

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))	BDBM249334 (US10300060, Example 15-87 | US10765676, Example 15...) Show SMILES Nc1ncc(cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3cc(Cl)cn3)C(F)(F)F)cn2)cc1)C(F)(F)F Show InChI InChI=1S/C27H17ClF6N8O2/c28-17-10-39-42(13-17)22-6-3-15(26(29,30)31)8-21(22)41-24(43)40-18-11-37-25(38-12-18)44-19-4-1-14(2-5-19)20-7-16(27(32,33)34)9-36-23(20)35/h1-13H,(H2,35,36)(H2,40,41,43)	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))	BDBM249334 (US10300060, Example 15-87 | US10765676, Example 15...) Show SMILES Nc1ncc(cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3cc(Cl)cn3)C(F)(F)F)cn2)cc1)C(F)(F)F Show InChI InChI=1S/C27H17ClF6N8O2/c28-17-10-39-42(13-17)22-6-3-15(26(29,30)31)8-21(22)41-24(43)40-18-11-37-25(38-12-18)44-19-4-1-14(2-5-19)20-7-16(27(32,33)34)9-36-23(20)35/h1-13H,(H2,35,36)(H2,40,41,43)	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))	BDBM249334 (US10300060, Example 15-87 | US10765676, Example 15...) Show SMILES Nc1ncc(cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3cc(Cl)cn3)C(F)(F)F)cn2)cc1)C(F)(F)F Show InChI InChI=1S/C27H17ClF6N8O2/c28-17-10-39-42(13-17)22-6-3-15(26(29,30)31)8-21(22)41-24(43)40-18-11-37-25(38-12-18)44-19-4-1-14(2-5-19)20-7-16(27(32,33)34)9-36-23(20)35/h1-13H,(H2,35,36)(H2,40,41,43)	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))	BDBM249334 (US10300060, Example 15-87 | US10765676, Example 15...) Show SMILES Nc1ncc(cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3cc(Cl)cn3)C(F)(F)F)cn2)cc1)C(F)(F)F Show InChI InChI=1S/C27H17ClF6N8O2/c28-17-10-39-42(13-17)22-6-3-15(26(29,30)31)8-21(22)41-24(43)40-18-11-37-25(38-12-18)44-19-4-1-14(2-5-19)20-7-16(27(32,33)34)9-36-23(20)35/h1-13H,(H2,35,36)(H2,40,41,43)	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))	BDBM249334 (US10300060, Example 15-87 | US10765676, Example 15...) Show SMILES Nc1ncc(cc1-c1ccc(Oc2ncc(NC(=O)Nc3cc(ccc3-n3cc(Cl)cn3)C(F)(F)F)cn2)cc1)C(F)(F)F Show InChI InChI=1S/C27H17ClF6N8O2/c28-17-10-39-42(13-17)22-6-3-15(26(29,30)31)8-21(22)41-24(43)40-18-11-37-25(38-12-18)44-19-4-1-14(2-5-19)20-7-16(27(32,33)34)9-36-23(20)35/h1-13H,(H2,35,36)(H2,40,41,43)	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