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SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1

InChI Key: InChIKey=STSAPNTTYSKPRV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 292123   

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))	BDBM292123 (US10100049, Example 1-8 | US11299492, Example 1-8) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292123 (US10100049, Example 1-8 | US11299492, Example 1-8) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33)	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))	BDBM292123 (US10100049, Example 1-8 | US11299492, Example 1-8) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33)	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 JAK1 (Homo sapiens (Human))	BDBM292123 (US10100049, Example 1-8 | US11299492, Example 1-8) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33)	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 JAK1 (Homo sapiens (Human))	BDBM292123 (US10100049, Example 1-8 | US11299492, Example 1-8) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292123 (US10100049, Example 1-8 | US11299492, Example 1-8) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM292123 (US10100049, Example 1-8 | US11299492, Example 1-8) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM292123 (US10100049, Example 1-8 | US11299492, Example 1-8) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(CCC#N)C1 Show InChI InChI=1S/C27H28FN7O/c1-2-16-11-25(36)21(28)12-20(16)17-4-5-19-23(10-17)32-33-26(19)27-30-22-6-9-35(15-24(22)31-27)18-13-34(14-18)8-3-7-29/h4-5,10-12,18,36H,2-3,6,8-9,13-15H2,1H3,(H,30,31)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.660	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