BDBM113085 US8633206, 3

SMILES: CCOC1CCCN(C1)S(=O)(=O)CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12

InChI Key: InChIKey=QBEUWGUQNWOOHV-UHFFFAOYSA-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 = 113085   

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))	BDBM113085 (US8633206, 3) Show SMILES CCOC1CCCN(C1)S(=O)(=O)CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(7.34,-.38,;6,.39,;6,1.93,;4.67,2.7,;4.67,4.24,;3.33,5.01,;2,4.24,;2,2.7,;3.33,1.93,;.67,1.93,;-.1,.59,;1.44,.59,;-.67,2.7,;-2,1.92,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)| Show InChI InChI=1S/C21H33N5O3S/c1-3-29-18-5-4-12-26(13-18)30(27,28)14-16-6-8-17(9-7-16)25(2)21-19-10-11-22-20(19)23-15-24-21/h10-11,15-18H,3-9,12-14H2,1-2H3,(H,22,23,24)	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	31.7	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))	BDBM113085 (US8633206, 3) Show SMILES CCOC1CCCN(C1)S(=O)(=O)CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(7.34,-.38,;6,.39,;6,1.93,;4.67,2.7,;4.67,4.24,;3.33,5.01,;2,4.24,;2,2.7,;3.33,1.93,;.67,1.93,;-.1,.59,;1.44,.59,;-.67,2.7,;-2,1.92,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)| Show InChI InChI=1S/C21H33N5O3S/c1-3-29-18-5-4-12-26(13-18)30(27,28)14-16-6-8-17(9-7-16)25(2)21-19-10-11-22-20(19)23-15-24-21/h10-11,15-18H,3-9,12-14H2,1-2H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	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))	BDBM113085 (US8633206, 3) Show SMILES CCOC1CCCN(C1)S(=O)(=O)CC1CCC(CC1)N(C)c1ncnc2[nH]ccc12 |(7.34,-.38,;6,.39,;6,1.93,;4.67,2.7,;4.67,4.24,;3.33,5.01,;2,4.24,;2,2.7,;3.33,1.93,;.67,1.93,;-.1,.59,;1.44,.59,;-.67,2.7,;-2,1.92,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.92,;-3.33,2.69,;-6,-.39,;-7.34,.38,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.24,;-6,-5.01,;-4.67,-4.24,;-3.2,-4.71,;-2.3,-3.47,;-3.2,-2.22,;-4.67,-2.7,)| Show InChI InChI=1S/C21H33N5O3S/c1-3-29-18-5-4-12-26(13-18)30(27,28)14-16-6-8-17(9-7-16)25(2)21-19-10-11-22-20(19)23-15-24-21/h10-11,15-18H,3-9,12-14H2,1-2H3,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.09	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