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SMILES: Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1

InChI Key: InChIKey=QTGDQYUPEVGCQF-HNNXBMFYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 475633   

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))	BDBM475633 (US10851102, Example 26 | US11339160, Ex No. 26) Show SMILES Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r| Show InChI InChI=1S/C21H21N3O3/c1-2-21(26)23-8-7-15(11-23)13-27-20-9-17(12-24-14-22-10-19(20)24)16-3-5-18(25)6-4-16/h2-6,9-10,12,14-15,25H,1,7-8,11,13H2/t15-/m0/s1	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
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))	BDBM475633 (US10851102, Example 26 | US11339160, Ex No. 26) Show SMILES Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r| Show InChI InChI=1S/C21H21N3O3/c1-2-21(26)23-8-7-15(11-23)13-27-20-9-17(12-24-14-22-10-19(20)24)16-3-5-18(25)6-4-16/h2-6,9-10,12,14-15,25H,1,7-8,11,13H2/t15-/m0/s1	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))	BDBM475633 (US10851102, Example 26 | US11339160, Ex No. 26) Show SMILES Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r| Show InChI InChI=1S/C21H21N3O3/c1-2-21(26)23-8-7-15(11-23)13-27-20-9-17(12-24-14-22-10-19(20)24)16-3-5-18(25)6-4-16/h2-6,9-10,12,14-15,25H,1,7-8,11,13H2/t15-/m0/s1	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))	BDBM475633 (US10851102, Example 26 | US11339160, Ex No. 26) Show SMILES Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r| Show InChI InChI=1S/C21H21N3O3/c1-2-21(26)23-8-7-15(11-23)13-27-20-9-17(12-24-14-22-10-19(20)24)16-3-5-18(25)6-4-16/h2-6,9-10,12,14-15,25H,1,7-8,11,13H2/t15-/m0/s1	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))	BDBM475633 (US10851102, Example 26 | US11339160, Ex No. 26) Show SMILES Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r| Show InChI InChI=1S/C21H21N3O3/c1-2-21(26)23-8-7-15(11-23)13-27-20-9-17(12-24-14-22-10-19(20)24)16-3-5-18(25)6-4-16/h2-6,9-10,12,14-15,25H,1,7-8,11,13H2/t15-/m0/s1	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))	BDBM475633 (US10851102, Example 26 | US11339160, Ex No. 26) Show SMILES Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r| Show InChI InChI=1S/C21H21N3O3/c1-2-21(26)23-8-7-15(11-23)13-27-20-9-17(12-24-14-22-10-19(20)24)16-3-5-18(25)6-4-16/h2-6,9-10,12,14-15,25H,1,7-8,11,13H2/t15-/m0/s1	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))	BDBM475633 (US10851102, Example 26 | US11339160, Ex No. 26) Show SMILES Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r| Show InChI InChI=1S/C21H21N3O3/c1-2-21(26)23-8-7-15(11-23)13-27-20-9-17(12-24-14-22-10-19(20)24)16-3-5-18(25)6-4-16/h2-6,9-10,12,14-15,25H,1,7-8,11,13H2/t15-/m0/s1	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))	BDBM475633 (US10851102, Example 26 | US11339160, Ex No. 26) Show SMILES Oc1ccc(cc1)-c1cc(OC[C@H]2CCN(C2)C(=O)C=C)c2cncn2c1 |r| Show InChI InChI=1S/C21H21N3O3/c1-2-21(26)23-8-7-15(11-23)13-27-20-9-17(12-24-14-22-10-19(20)24)16-3-5-18(25)6-4-16/h2-6,9-10,12,14-15,25H,1,7-8,11,13H2/t15-/m0/s1	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