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SMILES: C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12

InChI Key: InChIKey=ZZQAUPMZTTVWNS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 153227   

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))	BDBM153227 (US10421760, Comparative Example 12 | US8993756, 20...) Show SMILES C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C21H16N4O/c1-2-18(26)25-16-10-6-9-15(11-16)20-19-17(14-7-4-3-5-8-14)12-22-21(19)24-13-23-20/h2-13H,1H2,(H,25,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US8993756 (2015) BindingDB Entry DOI: 10.7270/Q2VQ31DJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM153227 (US10421760, Comparative Example 12 | US8993756, 20...) Show SMILES C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C21H16N4O/c1-2-18(26)25-16-10-6-9-15(11-16)20-19-17(14-7-4-3-5-8-14)12-22-21(19)24-13-23-20/h2-13H,1H2,(H,25,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.50E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAKl, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US8993756 (2015) BindingDB Entry DOI: 10.7270/Q2VQ31DJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM153227 (US10421760, Comparative Example 12 | US8993756, 20...) Show SMILES C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C21H16N4O/c1-2-18(26)25-16-10-6-9-15(11-16)20-19-17(14-7-4-3-5-8-14)12-22-21(19)24-13-23-20/h2-13H,1H2,(H,25,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description JAK3: Among materials for the measurement of this inhibiting activity, a substrate peptide and a kinase protein were acquired as follows. As such a s...				US Patent US10421760 (2019) BindingDB Entry DOI: 10.7270/Q2JS9SSR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM153227 (US10421760, Comparative Example 12 | US8993756, 20...) Show SMILES C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C21H16N4O/c1-2-18(26)25-16-10-6-9-15(11-16)20-19-17(14-7-4-3-5-8-14)12-22-21(19)24-13-23-20/h2-13H,1H2,(H,25,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description JAK 2: Among materials for the measurement of this inhibiting activity, a substrate peptide and a kinase protein were acquired as follows. As such a ...				US Patent US10421760 (2019) BindingDB Entry DOI: 10.7270/Q2JS9SSR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM153227 (US10421760, Comparative Example 12 | US8993756, 20...) Show SMILES C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C21H16N4O/c1-2-18(26)25-16-10-6-9-15(11-16)20-19-17(14-7-4-3-5-8-14)12-22-21(19)24-13-23-20/h2-13H,1H2,(H,25,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description JAK 1: Among materials for the measurement of this inhibiting activity, a substrate peptide and a kinase protein were acquired as follows. As such a ...				US Patent US10421760 (2019) BindingDB Entry DOI: 10.7270/Q2JS9SSR
					More data for this Ligand-Target Pair