Compile Data Set for Download or QSAR

Found 3836 hits with Last Name = 'condroski' and Initial = 'kr'   

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
Genome polyprotein (Hepacivirus C)	BDBM50495950 (Danoprevir | R-05190591 | R05190591 | RO-5190591 |...) Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC(C)(C)C)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:23| Show InChI InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1a NS3/4A protease A156T mutant expressed in Escherichia coli BL21 (DE3) cells assessed as substrate cleavag...				J Med Chem 57: 1753-69 (2014) Article DOI: 10.1021/jm400164c BindingDB Entry DOI: 10.7270/Q2T72MD2
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127782 (US10251889, Example 155 | US10758542, Example 155 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r| Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	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))	BDBM127782 (US10251889, Example 155 | US10758542, Example 155 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r| Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	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))	BDBM127782 (US10251889, Example 155 | US10758542, Example 155 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r| Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127782 (US10251889, Example 155 | US10758542, Example 155 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r| Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				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))	BDBM127782 (US10251889, Example 155 | US10758542, Example 155 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCO)c2n1 |r| Show InChI InChI=1S/C19H21FN6O3/c1-29-19-13(9-12(20)10-22-19)15-3-2-6-25(15)16-4-7-26-17(24-16)14(11-23-26)18(28)21-5-8-27/h4,7,9-11,15,27H,2-3,5-6,8H2,1H3,(H,21,28)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	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))	BDBM344316 (US10251889, Example 25 | US10758542, Example 25 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCc3c[nH]cn3)c2n1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM344316 (US10251889, Example 25 | US10758542, Example 25 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCc3c[nH]cn3)c2n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				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))	BDBM344316 (US10251889, Example 25 | US10758542, Example 25 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCc3c[nH]cn3)c2n1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM127652 (US8791123, 25) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCc3cnc[nH]3)c2n1 |r| Show InChI InChI=1S/C22H21F2N7O/c23-14-3-4-18(24)16(10-14)19-2-1-8-30(19)20-6-9-31-21(29-20)17(12-28-31)22(32)26-7-5-15-11-25-13-27-15/h3-4,6,9-13,19H,1-2,5,7-8H2,(H,25,27)(H,26,32)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	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))	BDBM344316 (US10251889, Example 25 | US10758542, Example 25 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCc3c[nH]cn3)c2n1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM127634 (US10251889, Example 7 | US10758542, Example 7 | US...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)| Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	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))	BDBM127634 (US10251889, Example 7 | US10758542, Example 7 | US...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)| Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	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))	BDBM127634 (US10251889, Example 7 | US10758542, Example 7 | US...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)| Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	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))	BDBM127634 (US10251889, Example 7 | US10758542, Example 7 | US...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)| Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127634 (US10251889, Example 7 | US10758542, Example 7 | US...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)| Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				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))	BDBM127640 (US10251889, Example 13 | US10758542, Example 13 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H19F2N5O/c21-12-3-6-16(22)14(10-12)17-2-1-8-26(17)18-7-9-27-19(25-18)15(11-23-27)20(28)24-13-4-5-13/h3,6-7,9-11,13,17H,1-2,4-5,8H2,(H,24,28)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	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))	BDBM127640 (US10251889, Example 13 | US10758542, Example 13 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H19F2N5O/c21-12-3-6-16(22)14(10-12)17-2-1-8-26(17)18-7-9-27-19(25-18)15(11-23-27)20(28)24-13-4-5-13/h3,6-7,9-11,13,17H,1-2,4-5,8H2,(H,24,28)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	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))	BDBM127640 (US10251889, Example 13 | US10758542, Example 13 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H19F2N5O/c21-12-3-6-16(22)14(10-12)17-2-1-8-26(17)18-7-9-27-19(25-18)15(11-23-27)20(28)24-13-4-5-13/h3,6-7,9-11,13,17H,1-2,4-5,8H2,(H,24,28)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127640 (US10251889, Example 13 | US10758542, Example 13 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H19F2N5O/c21-12-3-6-16(22)14(10-12)17-2-1-8-26(17)18-7-9-27-19(25-18)15(11-23-27)20(28)24-13-4-5-13/h3,6-7,9-11,13,17H,1-2,4-5,8H2,(H,24,28)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				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))	BDBM127640 (US10251889, Example 13 | US10758542, Example 13 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H19F2N5O/c21-12-3-6-16(22)14(10-12)17-2-1-8-26(17)18-7-9-27-19(25-18)15(11-23-27)20(28)24-13-4-5-13/h3,6-7,9-11,13,17H,1-2,4-5,8H2,(H,24,28)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM136474 (US8865726, 105 | US8865726, 140) Show SMILES Fc1ccc(nc1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	7.5	22
Array BioPharma Inc. US Patent					Assay Description The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...				US Patent US8865726 (2014) BindingDB Entry DOI: 10.7270/Q2V69H93
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM136478 (US8865726, 109) Show SMILES Fc1ccc(cc1)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	7.5	22
Array BioPharma Inc. US Patent					Assay Description The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...				US Patent US8865726 (2014) BindingDB Entry DOI: 10.7270/Q2V69H93
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM136465 (US8865726, 96) Show SMILES Fc1ccc(cc1Cl)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	7.5	22
Array BioPharma Inc. US Patent					Assay Description The ability of compounds of Formula I to inhibit mTOR was determined in a radioactive filtration assay that measures the transfer of radiolabeled pho...				US Patent US8865726 (2014) BindingDB Entry DOI: 10.7270/Q2V69H93
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127641 (US10251889, Example 14 | US10758542, Example 14 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O/c22-13-6-7-17(23)15(11-13)18-5-2-9-27(18)19-8-10-28-20(26-19)16(12-24-28)21(29)25-14-3-1-4-14/h6-8,10-12,14,18H,1-5,9H2,(H,25,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127641 (US10251889, Example 14 | US10758542, Example 14 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O/c22-13-6-7-17(23)15(11-13)18-5-2-9-27(18)19-8-10-28-20(26-19)16(12-24-28)21(29)25-14-3-1-4-14/h6-8,10-12,14,18H,1-5,9H2,(H,25,29)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				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))	BDBM127641 (US10251889, Example 14 | US10758542, Example 14 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O/c22-13-6-7-17(23)15(11-13)18-5-2-9-27(18)19-8-10-28-20(26-19)16(12-24-28)21(29)25-14-3-1-4-14/h6-8,10-12,14,18H,1-5,9H2,(H,25,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	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))	BDBM127641 (US10251889, Example 14 | US10758542, Example 14 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O/c22-13-6-7-17(23)15(11-13)18-5-2-9-27(18)19-8-10-28-20(26-19)16(12-24-28)21(29)25-14-3-1-4-14/h6-8,10-12,14,18H,1-5,9H2,(H,25,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	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))	BDBM127641 (US10251889, Example 14 | US10758542, Example 14 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O/c22-13-6-7-17(23)15(11-13)18-5-2-9-27(18)19-8-10-28-20(26-19)16(12-24-28)21(29)25-14-3-1-4-14/h6-8,10-12,14,18H,1-5,9H2,(H,25,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.550	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))	BDBM127693 (US10251889, Example 66 | US10758542, Example 66 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NOCC3CC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O2/c22-14-5-6-17(23)15(10-14)18-2-1-8-27(18)19-7-9-28-20(25-19)16(11-24-28)21(29)26-30-12-13-3-4-13/h5-7,9-11,13,18H,1-4,8,12H2,(H,26,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.570	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127693 (US10251889, Example 66 | US10758542, Example 66 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NOCC3CC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O2/c22-14-5-6-17(23)15(10-14)18-2-1-8-27(18)19-7-9-28-20(25-19)16(11-24-28)21(29)26-30-12-13-3-4-13/h5-7,9-11,13,18H,1-4,8,12H2,(H,26,29)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				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))	BDBM127693 (US10251889, Example 66 | US10758542, Example 66 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NOCC3CC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O2/c22-14-5-6-17(23)15(10-14)18-2-1-8-27(18)19-7-9-28-20(25-19)16(11-24-28)21(29)26-30-12-13-3-4-13/h5-7,9-11,13,18H,1-4,8,12H2,(H,26,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.570	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))	BDBM127693 (US10251889, Example 66 | US10758542, Example 66 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NOCC3CC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O2/c22-14-5-6-17(23)15(10-14)18-2-1-8-27(18)19-7-9-28-20(25-19)16(11-24-28)21(29)26-30-12-13-3-4-13/h5-7,9-11,13,18H,1-4,8,12H2,(H,26,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.570	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))	BDBM127693 (US10251889, Example 66 | US10758542, Example 66 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NOCC3CC3)c2n1 |r| Show InChI InChI=1S/C21H21F2N5O2/c22-14-5-6-17(23)15(10-14)18-2-1-8-27(18)19-7-9-28-20(25-19)16(11-24-28)21(29)26-30-12-13-3-4-13/h5-7,9-11,13,18H,1-4,8,12H2,(H,26,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.570	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))	BDBM127692 (US10251889, Example 65 | US10758542, Example 65 | ...) Show SMILES CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r| Show InChI InChI=1S/C18H17F2N5O2/c1-27-23-18(26)13-10-21-25-8-6-16(22-17(13)25)24-7-2-3-15(24)12-9-11(19)4-5-14(12)20/h4-6,8-10,15H,2-3,7H2,1H3,(H,23,26)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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))	BDBM344339 (US10251889, Example 48 | US10758542, Example 48 | ...) Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C21H22FN5O2/c22-14-4-3-13(12-28)16(10-14)18-2-1-8-26(18)19-7-9-27-20(25-19)17(11-23-27)21(29)24-15-5-6-15/h3-4,7,9-11,15,18,28H,1-2,5-6,8,12H2,(H,24,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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))	BDBM127692 (US10251889, Example 65 | US10758542, Example 65 | ...) Show SMILES CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r| Show InChI InChI=1S/C18H17F2N5O2/c1-27-23-18(26)13-10-21-25-8-6-16(22-17(13)25)24-7-2-3-15(24)12-9-11(19)4-5-14(12)20/h4-6,8-10,15H,2-3,7H2,1H3,(H,23,26)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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))	BDBM127642 (US10251889, Example 15 | US10758542, Example 15 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC4CCC3C4)c2n1 |r,THB:22:23:26.27:29| Show InChI InChI=1S/C24H25F2N5O/c25-16-5-6-19(26)17(12-16)21-2-1-8-30(21)22-7-9-31-23(29-22)18(13-27-31)24(32)28-20-11-14-3-4-15(20)10-14/h5-7,9,12-15,20-21H,1-4,8,10-11H2,(H,28,32)/t14?,15?,20-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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))	BDBM127647 (US10251889, Example 20 | US10758542, Example 20 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCOCC3)c2n1 |r| Show InChI InChI=1S/C22H23F2N5O2/c23-14-3-4-18(24)16(12-14)19-2-1-8-28(19)20-5-9-29-21(27-20)17(13-25-29)22(30)26-15-6-10-31-11-7-15/h3-5,9,12-13,15,19H,1-2,6-8,10-11H2,(H,26,30)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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))	BDBM127642 (US10251889, Example 15 | US10758542, Example 15 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC4CCC3C4)c2n1 |r,THB:22:23:26.27:29| Show InChI InChI=1S/C24H25F2N5O/c25-16-5-6-19(26)17(12-16)21-2-1-8-30(21)22-7-9-31-23(29-22)18(13-27-31)24(32)28-20-11-14-3-4-15(20)10-14/h5-7,9,12-15,20-21H,1-4,8,10-11H2,(H,28,32)/t14?,15?,20-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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))	BDBM127642 (US10251889, Example 15 | US10758542, Example 15 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC4CCC3C4)c2n1 |r,THB:22:23:26.27:29| Show InChI InChI=1S/C24H25F2N5O/c25-16-5-6-19(26)17(12-16)21-2-1-8-30(21)22-7-9-31-23(29-22)18(13-27-31)24(32)28-20-11-14-3-4-15(20)10-14/h5-7,9,12-15,20-21H,1-4,8,10-11H2,(H,28,32)/t14?,15?,20-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM344339 (US10251889, Example 48 | US10758542, Example 48 | ...) Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C21H22FN5O2/c22-14-4-3-13(12-28)16(10-14)18-2-1-8-26(18)19-7-9-27-20(25-19)17(11-23-27)21(29)24-15-5-6-15/h3-4,7,9-11,15,18,28H,1-2,5-6,8,12H2,(H,24,29)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				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))	BDBM127647 (US10251889, Example 20 | US10758542, Example 20 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCOCC3)c2n1 |r| Show InChI InChI=1S/C22H23F2N5O2/c23-14-3-4-18(24)16(12-14)19-2-1-8-28(19)20-5-9-29-21(27-20)17(13-25-29)22(30)26-15-6-10-31-11-7-15/h3-5,9,12-13,15,19H,1-2,6-8,10-11H2,(H,26,30)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127647 (US10251889, Example 20 | US10758542, Example 20 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCOCC3)c2n1 |r| Show InChI InChI=1S/C22H23F2N5O2/c23-14-3-4-18(24)16(12-14)19-2-1-8-28(19)20-5-9-29-21(27-20)17(13-25-29)22(30)26-15-6-10-31-11-7-15/h3-5,9,12-13,15,19H,1-2,6-8,10-11H2,(H,26,30)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2R49T22
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127642 (US10251889, Example 15 | US10758542, Example 15 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC4CCC3C4)c2n1 |r,THB:22:23:26.27:29| Show InChI InChI=1S/C24H25F2N5O/c25-16-5-6-19(26)17(12-16)21-2-1-8-30(21)22-7-9-31-23(29-22)18(13-27-31)24(32)28-20-11-14-3-4-15(20)10-14/h5-7,9,12-15,20-21H,1-4,8,10-11H2,(H,28,32)/t14?,15?,20-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				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))	BDBM344339 (US10251889, Example 48 | US10758542, Example 48 | ...) Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C21H22FN5O2/c22-14-4-3-13(12-28)16(10-14)18-2-1-8-26(18)19-7-9-27-20(25-19)17(11-23-27)21(29)24-15-5-6-15/h3-4,7,9-11,15,18,28H,1-2,5-6,8,12H2,(H,24,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127692 (US10251889, Example 65 | US10758542, Example 65 | ...) Show SMILES CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r| Show InChI InChI=1S/C18H17F2N5O2/c1-27-23-18(26)13-10-21-25-8-6-16(22-17(13)25)24-7-2-3-15(24)12-9-11(19)4-5-14(12)20/h4-6,8-10,15H,2-3,7H2,1H3,(H,23,26)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...				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))	BDBM127692 (US10251889, Example 65 | US10758542, Example 65 | ...) Show SMILES CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r| Show InChI InChI=1S/C18H17F2N5O2/c1-27-23-18(26)13-10-21-25-8-6-16(22-17(13)25)24-7-2-3-15(24)12-9-11(19)4-5-14(12)20/h4-6,8-10,15H,2-3,7H2,1H3,(H,23,26)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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))	BDBM344339 (US10251889, Example 48 | US10758542, Example 48 | ...) Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C21H22FN5O2/c22-14-4-3-13(12-28)16(10-14)18-2-1-8-26(18)19-7-9-27-20(25-19)17(11-23-27)21(29)24-15-5-6-15/h3-4,7,9-11,15,18,28H,1-2,5-6,8,12H2,(H,24,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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))	BDBM127647 (US10251889, Example 20 | US10758542, Example 20 | ...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCOCC3)c2n1 |r| Show InChI InChI=1S/C22H23F2N5O2/c23-14-3-4-18(24)16(12-14)19-2-1-8-28(19)20-5-9-29-21(27-20)17(13-25-29)22(30)26-15-6-10-31-11-7-15/h3-5,9,12-13,15,19H,1-2,6-8,10-11H2,(H,26,30)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	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

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