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SMILES: CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC(C1)S(C)(=O)=O

InChI Key: InChIKey=TXUGWEWYIDJKMN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 455371   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM455371 (6-(1-(1-(methylsulfonyl)azetidin-3-yl)-1H-pyrazol-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC(C1)S(C)(=O)=O |(.49,4.45,;-.6,3.36,;-2.09,3.76,;-2.49,5.25,;-1.4,6.34,;-3.18,2.67,;-2.7,1.21,;-3.95,.3,;-5.2,1.21,;-4.72,2.67,;-3.95,-1.24,;-2.62,-2.01,;-2.62,-3.55,;-3.95,-4.32,;-5.28,-3.55,;-6.75,-4.03,;-7.65,-2.78,;-6.75,-1.53,;-5.28,-2.01,;-1.28,-4.32,;-1.28,-5.86,;.18,-6.34,;1.09,-5.09,;.18,-3.84,;2.57,-4.69,;3.91,-5.46,;4.68,-4.13,;3.34,-3.36,;6.17,-3.73,;7.25,-4.82,;6.94,-2.4,;7.65,-3.33,)| Show InChI InChI=1S/C22H27N7O2S/c1-4-17(5-2)27-13-16(11-25-27)22-21-6-7-23-29(21)14-20(26-22)15-10-24-28(12-15)18-8-19(9-18)32(3,30)31/h6-7,10-14,17-19H,4-5,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020) BindingDB Entry DOI: 10.7270/Q2CC13R9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM455371 (6-(1-(1-(methylsulfonyl)azetidin-3-yl)-1H-pyrazol-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC(C1)S(C)(=O)=O |(.49,4.45,;-.6,3.36,;-2.09,3.76,;-2.49,5.25,;-1.4,6.34,;-3.18,2.67,;-2.7,1.21,;-3.95,.3,;-5.2,1.21,;-4.72,2.67,;-3.95,-1.24,;-2.62,-2.01,;-2.62,-3.55,;-3.95,-4.32,;-5.28,-3.55,;-6.75,-4.03,;-7.65,-2.78,;-6.75,-1.53,;-5.28,-2.01,;-1.28,-4.32,;-1.28,-5.86,;.18,-6.34,;1.09,-5.09,;.18,-3.84,;2.57,-4.69,;3.91,-5.46,;4.68,-4.13,;3.34,-3.36,;6.17,-3.73,;7.25,-4.82,;6.94,-2.4,;7.65,-3.33,)| Show InChI InChI=1S/C22H27N7O2S/c1-4-17(5-2)27-13-16(11-25-27)22-21-6-7-23-29(21)14-20(26-22)15-10-24-28(12-15)18-8-19(9-18)32(3,30)31/h6-7,10-14,17-19H,4-5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK3 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020) BindingDB Entry DOI: 10.7270/Q2CC13R9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM455371 (6-(1-(1-(methylsulfonyl)azetidin-3-yl)-1H-pyrazol-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC(C1)S(C)(=O)=O |(.49,4.45,;-.6,3.36,;-2.09,3.76,;-2.49,5.25,;-1.4,6.34,;-3.18,2.67,;-2.7,1.21,;-3.95,.3,;-5.2,1.21,;-4.72,2.67,;-3.95,-1.24,;-2.62,-2.01,;-2.62,-3.55,;-3.95,-4.32,;-5.28,-3.55,;-6.75,-4.03,;-7.65,-2.78,;-6.75,-1.53,;-5.28,-2.01,;-1.28,-4.32,;-1.28,-5.86,;.18,-6.34,;1.09,-5.09,;.18,-3.84,;2.57,-4.69,;3.91,-5.46,;4.68,-4.13,;3.34,-3.36,;6.17,-3.73,;7.25,-4.82,;6.94,-2.4,;7.65,-3.33,)| Show InChI InChI=1S/C22H27N7O2S/c1-4-17(5-2)27-13-16(11-25-27)22-21-6-7-23-29(21)14-20(26-22)15-10-24-28(12-15)18-8-19(9-18)32(3,30)31/h6-7,10-14,17-19H,4-5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020) BindingDB Entry DOI: 10.7270/Q2CC13R9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM455371 (6-(1-(1-(methylsulfonyl)azetidin-3-yl)-1H-pyrazol-...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC(C1)S(C)(=O)=O |(.49,4.45,;-.6,3.36,;-2.09,3.76,;-2.49,5.25,;-1.4,6.34,;-3.18,2.67,;-2.7,1.21,;-3.95,.3,;-5.2,1.21,;-4.72,2.67,;-3.95,-1.24,;-2.62,-2.01,;-2.62,-3.55,;-3.95,-4.32,;-5.28,-3.55,;-6.75,-4.03,;-7.65,-2.78,;-6.75,-1.53,;-5.28,-2.01,;-1.28,-4.32,;-1.28,-5.86,;.18,-6.34,;1.09,-5.09,;.18,-3.84,;2.57,-4.69,;3.91,-5.46,;4.68,-4.13,;3.34,-3.36,;6.17,-3.73,;7.25,-4.82,;6.94,-2.4,;7.65,-3.33,)| Show InChI InChI=1S/C22H27N7O2S/c1-4-17(5-2)27-13-16(11-25-27)22-21-6-7-23-29(21)14-20(26-22)15-10-24-28(12-15)18-8-19(9-18)32(3,30)31/h6-7,10-14,17-19H,4-5,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020) BindingDB Entry DOI: 10.7270/Q2CC13R9
					More data for this Ligand-Target Pair