BDBM113102 US8633206, 20

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

InChI Key: InChIKey=ODFQYATUYLCXBK-DDAAKYIKSA-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 = 113102   

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))	BDBM113102 (US8633206, 20) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CNC(C)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;5.33,1.93,;5.33,.39,;6.67,-.38,;8,.39,;6.67,-1.92,;2.67,1.93,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)| Show InChI InChI=1S/C22H34N6O3S/c1-16(29)24-12-18-4-3-11-28(13-18)32(30,31)14-17-5-7-19(8-6-17)27(2)22-20-9-10-23-21(20)25-15-26-22/h9-10,15,17-19H,3-8,11-14H2,1-2H3,(H,24,29)(H,23,25,26)/t17-,18?,19-	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	190	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))	BDBM113102 (US8633206, 20) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CNC(C)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;5.33,1.93,;5.33,.39,;6.67,-.38,;8,.39,;6.67,-1.92,;2.67,1.93,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)| Show InChI InChI=1S/C22H34N6O3S/c1-16(29)24-12-18-4-3-11-28(13-18)32(30,31)14-17-5-7-19(8-6-17)27(2)22-20-9-10-23-21(20)25-15-26-22/h9-10,15,17-19H,3-8,11-14H2,1-2H3,(H,24,29)(H,23,25,26)/t17-,18?,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.66	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))	BDBM113102 (US8633206, 20) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCCC(CNC(C)=O)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-8,.38,;-6.67,-.39,;-5.33,.38,;-5.33,1.92,;-4,2.69,;-2.67,1.92,;-1.33,2.7,;,1.93,;-.77,.59,;.77,.59,;1.33,2.7,;1.33,4.24,;2.67,5.01,;4,4.24,;4,2.7,;5.33,1.93,;5.33,.39,;6.67,-.38,;8,.39,;6.67,-1.92,;2.67,1.93,;-2.67,.38,;-4,-.38,;-6.67,-1.93,;-8,-2.7,;-8,-4.24,;-6.67,-5.01,;-5.33,-4.24,;-3.87,-4.71,;-2.96,-3.47,;-3.87,-2.22,;-5.33,-2.7,)| Show InChI InChI=1S/C22H34N6O3S/c1-16(29)24-12-18-4-3-11-28(13-18)32(30,31)14-17-5-7-19(8-6-17)27(2)22-20-9-10-23-21(20)25-15-26-22/h9-10,15,17-19H,3-8,11-14H2,1-2H3,(H,24,29)(H,23,25,26)/t17-,18?,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15.2	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