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SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNCC1

InChI Key: InChIKey=LVWMZCFVLDZWJK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 292124   

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 JAK1 (Homo sapiens (Human))	BDBM292124 (US10100049, Example 2-3) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNCC1 Show InChI InChI=1S/C26H29FN6O/c1-2-15-12-24(34)20(27)13-19(15)16-3-4-18-22(11-16)31-32-25(18)26-29-21-7-10-33(14-23(21)30-26)17-5-8-28-9-6-17/h3-4,11-13,17,28,34H,2,5-10,14H2,1H3,(H,29,30)(H,31,32)	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	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292124 (US10100049, Example 2-3) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNCC1 Show InChI InChI=1S/C26H29FN6O/c1-2-15-12-24(34)20(27)13-19(15)16-3-4-18-22(11-16)31-32-25(18)26-29-21-7-10-33(14-23(21)30-26)17-5-8-28-9-6-17/h3-4,11-13,17,28,34H,2,5-10,14H2,1H3,(H,29,30)(H,31,32)	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	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM292124 (US10100049, Example 2-3) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNCC1 Show InChI InChI=1S/C26H29FN6O/c1-2-15-12-24(34)20(27)13-19(15)16-3-4-18-22(11-16)31-32-25(18)26-29-21-7-10-33(14-23(21)30-26)17-5-8-28-9-6-17/h3-4,11-13,17,28,34H,2,5-10,14H2,1H3,(H,29,30)(H,31,32)	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	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM292124 (US10100049, Example 2-3) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNCC1 Show InChI InChI=1S/C26H29FN6O/c1-2-15-12-24(34)20(27)13-19(15)16-3-4-18-22(11-16)31-32-25(18)26-29-21-7-10-33(14-23(21)30-26)17-5-8-28-9-6-17/h3-4,11-13,17,28,34H,2,5-10,14H2,1H3,(H,29,30)(H,31,32)	PDB 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	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair