null

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)C(F)(F)F)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=YROCBEHZNIYXMQ-KKUMJFAQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 113157   

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))	BDBM113157 (US8633206, 75) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)C(F)(F)F)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.09,.53,;5.76,-.24,;4.42,.53,;4.42,2.07,;3.09,2.84,;1.76,2.07,;.42,2.84,;-.91,2.07,;-.91,.53,;.42,1.3,;-2.25,2.84,;-2.23,4.38,;-3.69,4.86,;-4.6,3.61,;-3.69,2.37,;-6.09,3.21,;-6.48,1.73,;-5.4,.64,;-7.97,1.33,;-8.37,-.16,;-9.06,2.42,;-9.46,.93,;1.76,.53,;3.09,-.24,;5.76,-1.78,;4.42,-2.55,;4.42,-4.09,;5.76,-4.86,;7.09,-4.09,;8.55,-4.56,;9.46,-3.32,;8.55,-2.07,;7.09,-2.55,)| Show InChI InChI=1S/C20H27F3N6O3S/c1-28(18-16-6-8-24-17(16)25-12-26-18)15-4-2-13(3-5-15)11-33(31,32)29-9-7-14(10-29)27-19(30)20(21,22)23/h6,8,12-15H,2-5,7,9-11H2,1H3,(H,27,30)(H,24,25,26)/t13-,14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	399	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM113157 (US8633206, 75) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)C(F)(F)F)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.09,.53,;5.76,-.24,;4.42,.53,;4.42,2.07,;3.09,2.84,;1.76,2.07,;.42,2.84,;-.91,2.07,;-.91,.53,;.42,1.3,;-2.25,2.84,;-2.23,4.38,;-3.69,4.86,;-4.6,3.61,;-3.69,2.37,;-6.09,3.21,;-6.48,1.73,;-5.4,.64,;-7.97,1.33,;-8.37,-.16,;-9.06,2.42,;-9.46,.93,;1.76,.53,;3.09,-.24,;5.76,-1.78,;4.42,-2.55,;4.42,-4.09,;5.76,-4.86,;7.09,-4.09,;8.55,-4.56,;9.46,-3.32,;8.55,-2.07,;7.09,-2.55,)| Show InChI InChI=1S/C20H27F3N6O3S/c1-28(18-16-6-8-24-17(16)25-12-26-18)15-4-2-13(3-5-15)11-33(31,32)29-9-7-14(10-29)27-19(30)20(21,22)23/h6,8,12-15H,2-5,7,9-11H2,1H3,(H,27,30)(H,24,25,26)/t13-,14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.1	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113157 (US8633206, 75) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)C(F)(F)F)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.09,.53,;5.76,-.24,;4.42,.53,;4.42,2.07,;3.09,2.84,;1.76,2.07,;.42,2.84,;-.91,2.07,;-.91,.53,;.42,1.3,;-2.25,2.84,;-2.23,4.38,;-3.69,4.86,;-4.6,3.61,;-3.69,2.37,;-6.09,3.21,;-6.48,1.73,;-5.4,.64,;-7.97,1.33,;-8.37,-.16,;-9.06,2.42,;-9.46,.93,;1.76,.53,;3.09,-.24,;5.76,-1.78,;4.42,-2.55,;4.42,-4.09,;5.76,-4.86,;7.09,-4.09,;8.55,-4.56,;9.46,-3.32,;8.55,-2.07,;7.09,-2.55,)| Show InChI InChI=1S/C20H27F3N6O3S/c1-28(18-16-6-8-24-17(16)25-12-26-18)15-4-2-13(3-5-15)11-33(31,32)29-9-7-14(10-29)27-19(30)20(21,22)23/h6,8,12-15H,2-5,7,9-11H2,1H3,(H,27,30)(H,24,25,26)/t13-,14-,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62.2	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair