BDBM127629 US10251889, Example 2::US10758542, Example 2::US8791123, 2::US9782415, Example 2::US9796724, Example 2

SMILES: Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1

InChI Key: InChIKey=WPQQNUFDOKQHRQ-GOSISDBHSA-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 = 127629   

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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/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	0.700	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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/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	>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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/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	0.700	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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/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	>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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/t18-/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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/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	>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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/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	0.700	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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/t18-/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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/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	0.700	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))	BDBM127629 (US10251889, Example 2 | US10758542, Example 2 | US...) Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccccn3)c2n1 |r| Show InChI InChI=1S/C22H18F2N6O/c23-14-6-7-17(24)15(12-14)18-4-3-10-29(18)20-8-11-30-21(28-20)16(13-26-30)22(31)27-19-5-1-2-9-25-19/h1-2,5-9,11-13,18H,3-4,10H2,(H,25,27,31)/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	0.700	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