null

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)C(C)(C)O)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=JYLPMNDFBHSHCU-SAABIXHNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 113129   

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))	BDBM113129 (US8633206, 47) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)C(C)(C)O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-.39,;4.82,-1.16,;3.48,-.39,;3.48,1.15,;2.15,1.92,;.82,1.15,;-.52,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-3.19,1.93,;-3.19,3.47,;-4.52,4.23,;-5.85,3.47,;-5.85,1.93,;-4.52,1.15,;-7.19,4.24,;-7.19,5.78,;-8.52,5.01,;-8.52,3.47,;.82,-.39,;2.15,-1.15,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,)| Show InChI InChI=1S/C22H35N5O3S/c1-22(2,28)17-9-12-27(13-10-17)31(29,30)14-16-4-6-18(7-5-16)26(3)21-19-8-11-23-20(19)24-15-25-21/h8,11,15-18,28H,4-7,9-10,12-14H2,1-3H3,(H,23,24,25)/t16-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	397	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))	BDBM113129 (US8633206, 47) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)C(C)(C)O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-.39,;4.82,-1.16,;3.48,-.39,;3.48,1.15,;2.15,1.92,;.82,1.15,;-.52,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-3.19,1.93,;-3.19,3.47,;-4.52,4.23,;-5.85,3.47,;-5.85,1.93,;-4.52,1.15,;-7.19,4.24,;-7.19,5.78,;-8.52,5.01,;-8.52,3.47,;.82,-.39,;2.15,-1.15,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,)| Show InChI InChI=1S/C22H35N5O3S/c1-22(2,28)17-9-12-27(13-10-17)31(29,30)14-16-4-6-18(7-5-16)26(3)21-19-8-11-23-20(19)24-15-25-21/h8,11,15-18,28H,4-7,9-10,12-14H2,1-3H3,(H,23,24,25)/t16-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.5	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113129 (US8633206, 47) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)C(C)(C)O)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,wD:2.1,(6.15,-.39,;4.82,-1.16,;3.48,-.39,;3.48,1.15,;2.15,1.92,;.82,1.15,;-.52,1.93,;-1.85,1.15,;-1.85,-.38,;-.52,.38,;-3.19,1.93,;-3.19,3.47,;-4.52,4.23,;-5.85,3.47,;-5.85,1.93,;-4.52,1.15,;-7.19,4.24,;-7.19,5.78,;-8.52,5.01,;-8.52,3.47,;.82,-.39,;2.15,-1.15,;4.82,-2.7,;3.48,-3.47,;3.48,-5.01,;4.82,-5.78,;6.15,-5.01,;7.61,-5.48,;8.52,-4.24,;7.61,-2.99,;6.15,-3.47,)| Show InChI InChI=1S/C22H35N5O3S/c1-22(2,28)17-9-12-27(13-10-17)31(29,30)14-16-4-6-18(7-5-16)26(3)21-19-8-11-23-20(19)24-15-25-21/h8,11,15-18,28H,4-7,9-10,12-14H2,1-3H3,(H,23,24,25)/t16-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	68.4	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