BDBM127690 US10251889, Example 63::US10758542, Example 63::US8791123, 63::US9782415, Example 63::US9796724, Example 63

SMILES: OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F

InChI Key: InChIKey=IVHDXWQQZJTUMV-CXAGYDPISA-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 = 127690   

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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.55	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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/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	>1.00E+3	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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.55	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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/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	>1.00E+3	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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/m1/s1	PDB MMDB B.MOAD 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
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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.55	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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/m1/s1	PDB 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
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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.55	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))	BDBM127690 (US10251889, Example 63 | US10758542, Example 63 | ...) Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r| Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/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	4.55	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