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SMILES: Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1

InChI Key: InChIKey=CDTMZIIEWZIVCV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 475613   

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 JAK3 (Homo sapiens (Human))	BDBM475613 (US10851102, Example 8 | US11339160, Ex No. 8) Show SMILES Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C20H17F2N3O3/c1-2-18(27)24-7-12(8-24)10-28-17-5-13(9-25-11-23-6-15(17)25)14-3-4-16(26)20(22)19(14)21/h2-6,9,11-12,26H,1,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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%...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9T9W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM475613 (US10851102, Example 8 | US11339160, Ex No. 8) Show SMILES Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C20H17F2N3O3/c1-2-18(27)24-7-12(8-24)10-28-17-5-13(9-25-11-23-6-15(17)25)14-3-4-16(26)20(22)19(14)21/h2-6,9,11-12,26H,1,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent									US Patent US10851102 (2020) BindingDB Entry DOI: 10.7270/Q2N87DV3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM475613 (US10851102, Example 8 | US11339160, Ex No. 8) Show SMILES Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C20H17F2N3O3/c1-2-18(27)24-7-12(8-24)10-28-17-5-13(9-25-11-23-6-15(17)25)14-3-4-16(26)20(22)19(14)21/h2-6,9,11-12,26H,1,7-8,10H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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%...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9T9W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM475613 (US10851102, Example 8 | US11339160, Ex No. 8) Show SMILES Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C20H17F2N3O3/c1-2-18(27)24-7-12(8-24)10-28-17-5-13(9-25-11-23-6-15(17)25)14-3-4-16(26)20(22)19(14)21/h2-6,9,11-12,26H,1,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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%...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9T9W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM475613 (US10851102, Example 8 | US11339160, Ex No. 8) Show SMILES Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C20H17F2N3O3/c1-2-18(27)24-7-12(8-24)10-28-17-5-13(9-25-11-23-6-15(17)25)14-3-4-16(26)20(22)19(14)21/h2-6,9,11-12,26H,1,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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%...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9T9W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM475613 (US10851102, Example 8 | US11339160, Ex No. 8) Show SMILES Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C20H17F2N3O3/c1-2-18(27)24-7-12(8-24)10-28-17-5-13(9-25-11-23-6-15(17)25)14-3-4-16(26)20(22)19(14)21/h2-6,9,11-12,26H,1,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent									US Patent US10851102 (2020) BindingDB Entry DOI: 10.7270/Q2N87DV3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM475613 (US10851102, Example 8 | US11339160, Ex No. 8) Show SMILES Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C20H17F2N3O3/c1-2-18(27)24-7-12(8-24)10-28-17-5-13(9-25-11-23-6-15(17)25)14-3-4-16(26)20(22)19(14)21/h2-6,9,11-12,26H,1,7-8,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>100	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 US10851102 (2020) BindingDB Entry DOI: 10.7270/Q2N87DV3
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM475613 (US10851102, Example 8 | US11339160, Ex No. 8) Show SMILES Oc1ccc(c(F)c1F)-c1cc(OCC2CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C20H17F2N3O3/c1-2-18(27)24-7-12(8-24)10-28-17-5-13(9-25-11-23-6-15(17)25)14-3-4-16(26)20(22)19(14)21/h2-6,9,11-12,26H,1,7-8,10H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent									US Patent US10851102 (2020) BindingDB Entry DOI: 10.7270/Q2N87DV3
					More data for this Ligand-Target Pair