BDBM127781 US10251889, Example 154::US10758542, Example 154::US8791123, 154::US9782415, Example 154::US9796724, Example 154

SMILES: COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1

InChI Key: InChIKey=HREXZCUAJJCCAF-RLFYNMQTSA-N

Data: 10 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 127781   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
Array Biopharma, Inc. US Patent					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...				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))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					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...				US Patent US9782415 (2017) BindingDB Entry DOI: 10.7270/Q2P84F0G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Jak2: Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mix...				US Patent US10758542 (2020)
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	524	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))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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
JAK2 (aa 808-1132) (Homo sapiens (Human))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	524	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma, Inc. US Patent					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...				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))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127781 (US10251889, Example 154 | US10758542, Example 154 ...) Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r| Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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