BDBM113219 US8633206, 138

SMILES: CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12

InChI Key: InChIKey=PLALKTRHBMUZHB-ORXZLVCASA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 113219   

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 JAK1 (Homo sapiens (Human))	BDBM113219 (US8633206, 138) Show SMILES CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(7.27,-1.5,;6.87,-.01,;7.96,1.08,;5.38,.39,;5.38,1.93,;4.05,2.69,;4.05,4.23,;2.71,5,;1.38,4.23,;1.38,2.69,;2.71,1.93,;.05,1.93,;-.72,.59,;.82,.59,;-1.29,2.69,;-2.62,1.93,;-3.96,2.69,;-5.29,1.93,;-5.29,.38,;-3.96,-.38,;-2.62,.38,;-6.62,-.38,;-7.96,.38,;-6.62,-1.93,;-7.96,-2.69,;-7.96,-4.23,;-6.62,-5,;-5.29,-4.23,;-3.82,-4.71,;-2.92,-3.47,;-3.82,-2.22,;-5.29,-2.69,)| Show InChI InChI=1S/C23H37N5O3S/c1-17(2)14-31-20-5-4-12-28(13-20)32(29,30)15-18-6-8-19(9-7-18)27(3)23-21-10-11-24-22(21)25-16-26-23/h10-11,16-20H,4-9,12-15H2,1-3H3,(H,24,25,26)/t18-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00133	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))	BDBM113219 (US8633206, 138) Show SMILES CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(7.27,-1.5,;6.87,-.01,;7.96,1.08,;5.38,.39,;5.38,1.93,;4.05,2.69,;4.05,4.23,;2.71,5,;1.38,4.23,;1.38,2.69,;2.71,1.93,;.05,1.93,;-.72,.59,;.82,.59,;-1.29,2.69,;-2.62,1.93,;-3.96,2.69,;-5.29,1.93,;-5.29,.38,;-3.96,-.38,;-2.62,.38,;-6.62,-.38,;-7.96,.38,;-6.62,-1.93,;-7.96,-2.69,;-7.96,-4.23,;-6.62,-5,;-5.29,-4.23,;-3.82,-4.71,;-2.92,-3.47,;-3.82,-2.22,;-5.29,-2.69,)| Show InChI InChI=1S/C23H37N5O3S/c1-17(2)14-31-20-5-4-12-28(13-20)32(29,30)15-18-6-8-19(9-7-18)27(3)23-21-10-11-24-22(21)25-16-26-23/h10-11,16-20H,4-9,12-15H2,1-3H3,(H,24,25,26)/t18-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00767	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 JAK3 (Homo sapiens (Human))	BDBM113219 (US8633206, 138) Show SMILES CC(C)COC1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:18.22,wD:15.15,(7.27,-1.5,;6.87,-.01,;7.96,1.08,;5.38,.39,;5.38,1.93,;4.05,2.69,;4.05,4.23,;2.71,5,;1.38,4.23,;1.38,2.69,;2.71,1.93,;.05,1.93,;-.72,.59,;.82,.59,;-1.29,2.69,;-2.62,1.93,;-3.96,2.69,;-5.29,1.93,;-5.29,.38,;-3.96,-.38,;-2.62,.38,;-6.62,-.38,;-7.96,.38,;-6.62,-1.93,;-7.96,-2.69,;-7.96,-4.23,;-6.62,-5,;-5.29,-4.23,;-3.82,-4.71,;-2.92,-3.47,;-3.82,-2.22,;-5.29,-2.69,)| Show InChI InChI=1S/C23H37N5O3S/c1-17(2)14-31-20-5-4-12-28(13-20)32(29,30)15-18-6-8-19(9-7-18)27(3)23-21-10-11-24-22(21)25-16-26-23/h10-11,16-20H,4-9,12-15H2,1-3H3,(H,24,25,26)/t18-,19-,20?	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.132	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