Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM127726'   

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))	BDBM127726 (US10251889, Example 100 | US10758542, Example 100 ...) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)| Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				US Patent US10758542 (2020) BindingDB Entry DOI: 10.7270/Q2RB77PD
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127726 (US10251889, Example 100 | US10758542, Example 100 ...) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)| Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...				US Patent US9796724 (2017) BindingDB Entry DOI: 10.7270/Q27M0B21
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127726 (US10251889, Example 100 | US10758542, Example 100 ...) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)| Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				US Patent US10758542 (2020) BindingDB Entry DOI: 10.7270/Q2RB77PD
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127726 (US10251889, Example 100 | US10758542, Example 100 ...) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)| Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127726 (US10251889, Example 100 | US10758542, Example 100 ...) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)| Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	n/a
Array Biopharma, Inc. US Patent					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				US Patent US8791123 (2014) BindingDB Entry DOI: 10.7270/Q2Q23XX7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127726 (US10251889, Example 100 | US10758542, Example 100 ...) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)| Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					Assay Description Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...				US Patent US9796724 (2017) BindingDB Entry DOI: 10.7270/Q27M0B21
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127726 (US10251889, Example 100 | US10758542, Example 100 ...) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)| Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2R49T22
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127726 (US10251889, Example 100 | US10758542, Example 100 ...) Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)| Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2R49T22
					More data for this Ligand-Target Pair