null

SMILES: CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC

InChI Key: InChIKey=VJHRMGFNVRUSFE-NLUSQWIASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 431908   

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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10550118 (2020) BindingDB Entry DOI: 10.7270/Q25D8V88
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10550118 (2020) BindingDB Entry DOI: 10.7270/Q25D8V88
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10954237 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10550118 (2020) BindingDB Entry DOI: 10.7270/Q25D8V88
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM431908 (US10550118, Example 8-15 | US10954237, Example 8-1...) Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r| Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10550118 (2020) BindingDB Entry DOI: 10.7270/Q25D8V88
					More data for this Ligand-Target Pair