null

SMILES: CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C

InChI Key: InChIKey=KMZJQCBTQDUNCF-KLWDEDNCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 472916   

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))	BDBM472916 (US10836763, Example 3) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H33N7O2/c1-5-18-12-20(37)7-9-21(18)19-6-8-22-23(13-19)32-33-27(22)28-30-24-14-26(35(4)16-25(24)31-28)29(38)36-11-10-34(3)15-17(36)2/h6-9,12-13,17,26,37H,5,10-11,14-16H2,1-4H3/b28-27-/t17-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	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 US10836763 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM472916 (US10836763, Example 3) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H33N7O2/c1-5-18-12-20(37)7-9-21(18)19-6-8-22-23(13-19)32-33-27(22)28-30-24-14-26(35(4)16-25(24)31-28)29(38)36-11-10-34(3)15-17(36)2/h6-9,12-13,17,26,37H,5,10-11,14-16H2,1-4H3/b28-27-/t17-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	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 US10836763 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM472916 (US10836763, Example 3) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H33N7O2/c1-5-18-12-20(37)7-9-21(18)19-6-8-22-23(13-19)32-33-27(22)28-30-24-14-26(35(4)16-25(24)31-28)29(38)36-11-10-34(3)15-17(36)2/h6-9,12-13,17,26,37H,5,10-11,14-16H2,1-4H3/b28-27-/t17-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	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 US10836763 (2020)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM472916 (US10836763, Example 3) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C |r| Show InChI InChI=1S/C29H33N7O2/c1-5-18-12-20(37)7-9-21(18)19-6-8-22-23(13-19)32-33-27(22)28-30-24-14-26(35(4)16-25(24)31-28)29(38)36-11-10-34(3)15-17(36)2/h6-9,12-13,17,26,37H,5,10-11,14-16H2,1-4H3/b28-27-/t17-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	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 US10836763 (2020)
					More data for this Ligand-Target Pair