Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 127749   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33.2	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))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/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	33.2	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))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33.2	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))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33.2	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))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33.2	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))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/m0/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
Tyrosine-protein kinase JAK2 [808-1132] (Homo sapiens (Human))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/m0/s1	PDB MMDB UniProtKB/SwissProt 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) BindingDB Entry DOI: 10.7270/Q2RB77PD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/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	>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 [808-1132] (Homo sapiens (Human))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/m0/s1	PDB UniProtKB/SwissProt 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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM127749 (US10251889, Example 122 | US10758542, Example 122 ...) Show SMILES CC(C)[C@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1 |r| Show InChI InChI=1S/C21H25FN6O2/c1-13(2)17(12-29)25-21(30)16-11-24-28-7-5-19(26-20(16)28)27-6-3-4-18(27)14-8-15(22)10-23-9-14/h5,7-11,13,17-18,29H,3-4,6,12H2,1-2H3,(H,25,30)/t17-,18?/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	>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