BDBM113120 US8633206, 38

SMILES: CC1CN(CCN1C)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12

InChI Key: InChIKey=ZZQVPPZQLKAJEY-ATBAIXNZSA-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 = 113120   

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))	BDBM113120 (US8633206, 38) Show SMILES CC1CN(CCN1C)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,wD:12.12,(6.67,1.93,;5.33,2.7,;4,1.93,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;6.67,5.01,;1.33,1.93,;1.33,.39,;.56,3.26,;,2.7,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,-.39,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)| Show InChI InChI=1S/C20H32N6O2S/c1-15-12-26(11-10-24(15)2)29(27,28)13-16-4-6-17(7-5-16)25(3)20-18-8-9-21-19(18)22-14-23-20/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,21,22,23)/t15?,16-,17-	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	1.92E+3	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))	BDBM113120 (US8633206, 38) Show SMILES CC1CN(CCN1C)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,wD:12.12,(6.67,1.93,;5.33,2.7,;4,1.93,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;6.67,5.01,;1.33,1.93,;1.33,.39,;.56,3.26,;,2.7,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,-.39,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)| Show InChI InChI=1S/C20H32N6O2S/c1-15-12-26(11-10-24(15)2)29(27,28)13-16-4-6-17(7-5-16)25(3)20-18-8-9-21-19(18)22-14-23-20/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,21,22,23)/t15?,16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.4	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
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM113120 (US8633206, 38) Show SMILES CC1CN(CCN1C)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,wD:12.12,(6.67,1.93,;5.33,2.7,;4,1.93,;2.67,2.7,;2.67,4.24,;4,5.01,;5.33,4.24,;6.67,5.01,;1.33,1.93,;1.33,.39,;.56,3.26,;,2.7,;-1.33,1.92,;-2.67,2.69,;-4,1.92,;-4,.38,;-2.67,-.38,;-1.33,.38,;-5.33,-.39,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.7,;-6.67,-4.24,;-5.33,-5.01,;-4,-4.24,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.7,)| Show InChI InChI=1S/C20H32N6O2S/c1-15-12-26(11-10-24(15)2)29(27,28)13-16-4-6-17(7-5-16)25(3)20-18-8-9-21-19(18)22-14-23-20/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,21,22,23)/t15?,16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	126	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