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SMILES: OCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1

InChI Key: InChIKey=JCTABYLGPPBJQB-QGZVFWFLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 344370   

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))	BDBM344370 (US10251889, Example 79 | US10758542, Example 79 | ...) Show SMILES OCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H21FN6O2/c21-12-8-14(16(11-28)22-9-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-23-27)20(29)24-13-3-4-13/h5,7-10,13,17,28H,1-4,6,11H2,(H,24,29)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM344370 (US10251889, Example 79 | US10758542, Example 79 | ...) Show SMILES OCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H21FN6O2/c21-12-8-14(16(11-28)22-9-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-23-27)20(29)24-13-3-4-13/h5,7-10,13,17,28H,1-4,6,11H2,(H,24,29)/t17-/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	698	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))	BDBM344370 (US10251889, Example 79 | US10758542, Example 79 | ...) Show SMILES OCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H21FN6O2/c21-12-8-14(16(11-28)22-9-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-23-27)20(29)24-13-3-4-13/h5,7-10,13,17,28H,1-4,6,11H2,(H,24,29)/t17-/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	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
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM344370 (US10251889, Example 79 | US10758542, Example 79 | ...) Show SMILES OCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H21FN6O2/c21-12-8-14(16(11-28)22-9-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-23-27)20(29)24-13-3-4-13/h5,7-10,13,17,28H,1-4,6,11H2,(H,24,29)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	698	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))	BDBM344370 (US10251889, Example 79 | US10758542, Example 79 | ...) Show SMILES OCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H21FN6O2/c21-12-8-14(16(11-28)22-9-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-23-27)20(29)24-13-3-4-13/h5,7-10,13,17,28H,1-4,6,11H2,(H,24,29)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM344370 (US10251889, Example 79 | US10758542, Example 79 | ...) Show SMILES OCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H21FN6O2/c21-12-8-14(16(11-28)22-9-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-23-27)20(29)24-13-3-4-13/h5,7-10,13,17,28H,1-4,6,11H2,(H,24,29)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	698	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))	BDBM344370 (US10251889, Example 79 | US10758542, Example 79 | ...) Show SMILES OCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H21FN6O2/c21-12-8-14(16(11-28)22-9-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-23-27)20(29)24-13-3-4-13/h5,7-10,13,17,28H,1-4,6,11H2,(H,24,29)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344370 (US10251889, Example 79 | US10758542, Example 79 | ...) Show SMILES OCc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r| Show InChI InChI=1S/C20H21FN6O2/c21-12-8-14(16(11-28)22-9-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-23-27)20(29)24-13-3-4-13/h5,7-10,13,17,28H,1-4,6,11H2,(H,24,29)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	698	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