null

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)c2nnc(C)o2)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=FLSRHWGRIBBYJR-KFZAHXERSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 113100   

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))	BDBM113100 (US8633206, 18) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)c2nnc(C)o2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.62,.38,;-7.29,-.39,;-5.96,.38,;-5.96,1.92,;-4.62,2.69,;-3.29,1.92,;-1.95,2.7,;-.62,1.93,;-1.39,.59,;.15,.59,;.71,2.7,;.71,4.24,;2.05,5.01,;3.38,4.24,;3.38,2.7,;2.05,1.93,;4.71,1.93,;4.71,.39,;6.18,-.09,;7.08,1.16,;8.62,1.16,;6.18,2.4,;-3.29,.38,;-4.62,-.38,;-7.29,-1.93,;-8.62,-2.7,;-8.62,-4.24,;-7.29,-5.01,;-5.96,-4.24,;-4.49,-4.71,;-3.59,-3.47,;-4.49,-2.22,;-5.96,-2.7,)| Show InChI InChI=1S/C22H31N7O3S/c1-15-26-27-22(32-15)17-4-3-11-29(12-17)33(30,31)13-16-5-7-18(8-6-16)28(2)21-19-9-10-23-20(19)24-14-25-21/h9-10,14,16-18H,3-8,11-13H2,1-2H3,(H,23,24,25)/t16-,17?,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	210	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))	BDBM113100 (US8633206, 18) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)c2nnc(C)o2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.62,.38,;-7.29,-.39,;-5.96,.38,;-5.96,1.92,;-4.62,2.69,;-3.29,1.92,;-1.95,2.7,;-.62,1.93,;-1.39,.59,;.15,.59,;.71,2.7,;.71,4.24,;2.05,5.01,;3.38,4.24,;3.38,2.7,;2.05,1.93,;4.71,1.93,;4.71,.39,;6.18,-.09,;7.08,1.16,;8.62,1.16,;6.18,2.4,;-3.29,.38,;-4.62,-.38,;-7.29,-1.93,;-8.62,-2.7,;-8.62,-4.24,;-7.29,-5.01,;-5.96,-4.24,;-4.49,-4.71,;-3.59,-3.47,;-4.49,-2.22,;-5.96,-2.7,)| Show InChI InChI=1S/C22H31N7O3S/c1-15-26-27-22(32-15)17-4-3-11-29(12-17)33(30,31)13-16-5-7-18(8-6-16)28(2)21-19-9-10-23-20(19)24-14-25-21/h9-10,14,16-18H,3-8,11-13H2,1-2H3,(H,23,24,25)/t16-,17?,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.75	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))	BDBM113100 (US8633206, 18) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(C2)c2nnc(C)o2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8.62,.38,;-7.29,-.39,;-5.96,.38,;-5.96,1.92,;-4.62,2.69,;-3.29,1.92,;-1.95,2.7,;-.62,1.93,;-1.39,.59,;.15,.59,;.71,2.7,;.71,4.24,;2.05,5.01,;3.38,4.24,;3.38,2.7,;2.05,1.93,;4.71,1.93,;4.71,.39,;6.18,-.09,;7.08,1.16,;8.62,1.16,;6.18,2.4,;-3.29,.38,;-4.62,-.38,;-7.29,-1.93,;-8.62,-2.7,;-8.62,-4.24,;-7.29,-5.01,;-5.96,-4.24,;-4.49,-4.71,;-3.59,-3.47,;-4.49,-2.22,;-5.96,-2.7,)| Show InChI InChI=1S/C22H31N7O3S/c1-15-26-27-22(32-15)17-4-3-11-29(12-17)33(30,31)13-16-5-7-18(8-6-16)28(2)21-19-9-10-23-20(19)24-14-25-21/h9-10,14,16-18H,3-8,11-13H2,1-2H3,(H,23,24,25)/t16-,17?,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.5	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