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SMILES: Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1

InChI Key: InChIKey=MIYMBLJEPCTQSO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 475608   

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))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9T9W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.550	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))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9T9W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9T9W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2CF9T9W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	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))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	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))	BDBM475608 (US10851102, Example 3 | US11339160, Ex No. 3) Show SMILES Oc1ccc(cc1)-c1cc(OC2CCC22CN(C2)C(=O)C=C)c2cncn2c1 Show InChI InChI=1S/C22H21N3O3/c1-2-21(27)25-12-22(13-25)8-7-20(22)28-19-9-16(11-24-14-23-10-18(19)24)15-3-5-17(26)6-4-15/h2-6,9-11,14,20,26H,1,7-8,12-13H2	PDB 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