BDBM113142 US8633206, 60

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

InChI Key: InChIKey=VKZZRIHGEAOOMI-BRWVUGGUSA-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 = 113142   

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))	BDBM113142 (US8633206, 60) Show SMILES CO[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,2.1,wD:15.19,(-7.19,6.16,;-5.85,5.39,;-5.85,3.85,;-7.19,3.08,;-7.19,1.54,;-5.85,.77,;-4.52,1.54,;-4.52,3.08,;-3.19,.77,;-3.19,-.77,;-1.85,,;-1.85,1.54,;-.52,.77,;.82,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.52,-.77,;3.48,-1.54,;4.82,-.77,;3.48,-3.08,;2.15,-3.85,;2.15,-5.39,;3.48,-6.16,;4.82,-5.39,;6.28,-5.87,;7.19,-4.62,;6.28,-3.37,;4.82,-3.85,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-9-10-21-19(18)22-14-23-20)16-7-5-15(6-8-16)13-29(26,27)25-11-3-4-17(12-25)28-2/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,21,22,23)/t15-,16-,17-/m1/s1	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	203	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))	BDBM113142 (US8633206, 60) Show SMILES CO[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,2.1,wD:15.19,(-7.19,6.16,;-5.85,5.39,;-5.85,3.85,;-7.19,3.08,;-7.19,1.54,;-5.85,.77,;-4.52,1.54,;-4.52,3.08,;-3.19,.77,;-3.19,-.77,;-1.85,,;-1.85,1.54,;-.52,.77,;.82,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.52,-.77,;3.48,-1.54,;4.82,-.77,;3.48,-3.08,;2.15,-3.85,;2.15,-5.39,;3.48,-6.16,;4.82,-5.39,;6.28,-5.87,;7.19,-4.62,;6.28,-3.37,;4.82,-3.85,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-9-10-21-19(18)22-14-23-20)16-7-5-15(6-8-16)13-29(26,27)25-11-3-4-17(12-25)28-2/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,21,22,23)/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	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))	BDBM113142 (US8633206, 60) Show SMILES CO[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:12.12,2.1,wD:15.19,(-7.19,6.16,;-5.85,5.39,;-5.85,3.85,;-7.19,3.08,;-7.19,1.54,;-5.85,.77,;-4.52,1.54,;-4.52,3.08,;-3.19,.77,;-3.19,-.77,;-1.85,,;-1.85,1.54,;-.52,.77,;.82,1.54,;2.15,.77,;2.15,-.77,;.82,-1.54,;-.52,-.77,;3.48,-1.54,;4.82,-.77,;3.48,-3.08,;2.15,-3.85,;2.15,-5.39,;3.48,-6.16,;4.82,-5.39,;6.28,-5.87,;7.19,-4.62,;6.28,-3.37,;4.82,-3.85,)| Show InChI InChI=1S/C20H31N5O3S/c1-24(20-18-9-10-21-19(18)22-14-23-20)16-7-5-15(6-8-16)13-29(26,27)25-11-3-4-17(12-25)28-2/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,21,22,23)/t15-,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23.7	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