BDBM113163 US8633206, 81

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

InChI Key: InChIKey=QGEGFSHBJFXACC-JYJNAYRXSA-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 = 113163   

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))	BDBM113163 (US8633206, 81) Show SMILES CNS(=O)(=O)[C@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:14.14,5.4,wD:17.21,(-9.06,3.9,;-7.57,4.3,;-6.48,3.21,;-6.88,1.73,;-7.97,2.81,;-5,3.61,;-4.09,4.86,;-2.63,4.38,;-2.64,2.84,;-4.09,2.37,;-1.31,2.07,;-1.31,.53,;.02,1.3,;.02,2.84,;1.36,2.07,;2.69,2.84,;4.02,2.07,;4.02,.53,;2.69,-.24,;1.36,.53,;5.36,-.24,;6.69,.53,;5.36,-1.78,;4.02,-2.55,;4.02,-4.09,;5.36,-4.86,;6.69,-4.09,;8.16,-4.56,;9.06,-3.32,;8.16,-2.07,;6.69,-2.55,)| Show InChI InChI=1S/C19H30N6O4S2/c1-20-31(28,29)16-8-10-25(11-16)30(26,27)12-14-3-5-15(6-4-14)24(2)19-17-7-9-21-18(17)22-13-23-19/h7,9,13-16,20H,3-6,8,10-12H2,1-2H3,(H,21,22,23)/t14-,15-,16-/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	90.6	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))	BDBM113163 (US8633206, 81) Show SMILES CNS(=O)(=O)[C@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:14.14,5.4,wD:17.21,(-9.06,3.9,;-7.57,4.3,;-6.48,3.21,;-6.88,1.73,;-7.97,2.81,;-5,3.61,;-4.09,4.86,;-2.63,4.38,;-2.64,2.84,;-4.09,2.37,;-1.31,2.07,;-1.31,.53,;.02,1.3,;.02,2.84,;1.36,2.07,;2.69,2.84,;4.02,2.07,;4.02,.53,;2.69,-.24,;1.36,.53,;5.36,-.24,;6.69,.53,;5.36,-1.78,;4.02,-2.55,;4.02,-4.09,;5.36,-4.86,;6.69,-4.09,;8.16,-4.56,;9.06,-3.32,;8.16,-2.07,;6.69,-2.55,)| Show InChI InChI=1S/C19H30N6O4S2/c1-20-31(28,29)16-8-10-25(11-16)30(26,27)12-14-3-5-15(6-4-14)24(2)19-17-7-9-21-18(17)22-13-23-19/h7,9,13-16,20H,3-6,8,10-12H2,1-2H3,(H,21,22,23)/t14-,15-,16-/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.78	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))	BDBM113163 (US8633206, 81) Show SMILES CNS(=O)(=O)[C@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:14.14,5.4,wD:17.21,(-9.06,3.9,;-7.57,4.3,;-6.48,3.21,;-6.88,1.73,;-7.97,2.81,;-5,3.61,;-4.09,4.86,;-2.63,4.38,;-2.64,2.84,;-4.09,2.37,;-1.31,2.07,;-1.31,.53,;.02,1.3,;.02,2.84,;1.36,2.07,;2.69,2.84,;4.02,2.07,;4.02,.53,;2.69,-.24,;1.36,.53,;5.36,-.24,;6.69,.53,;5.36,-1.78,;4.02,-2.55,;4.02,-4.09,;5.36,-4.86,;6.69,-4.09,;8.16,-4.56,;9.06,-3.32,;8.16,-2.07,;6.69,-2.55,)| Show InChI InChI=1S/C19H30N6O4S2/c1-20-31(28,29)16-8-10-25(11-16)30(26,27)12-14-3-5-15(6-4-14)24(2)19-17-7-9-21-18(17)22-13-23-19/h7,9,13-16,20H,3-6,8,10-12H2,1-2H3,(H,21,22,23)/t14-,15-,16-/m0/s1	PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24.8	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