BDBM113164 US8633206, 82

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)Cc2ccccc2)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=WGZSLSCODQSJDX-FKBYEOEOSA-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 = 113164   

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))	BDBM113164 (US8633206, 82) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)Cc2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.83,.53,;6.5,-.24,;5.17,.53,;5.17,2.07,;3.83,2.84,;2.5,2.07,;1.17,2.84,;-.17,2.07,;-.17,.53,;1.17,1.3,;-1.5,2.84,;-1.49,4.38,;-2.95,4.86,;-3.86,3.61,;-2.95,2.37,;-5.34,3.21,;-6.43,4.3,;-6.83,2.81,;-5.74,1.73,;-7.23,1.33,;-8.32,2.42,;-9.81,2.02,;-10.2,.53,;-9.11,-.56,;-7.63,-.16,;2.5,.53,;3.83,-.24,;6.5,-1.78,;5.17,-2.55,;5.17,-4.09,;6.5,-4.86,;7.83,-4.09,;9.3,-4.56,;10.2,-3.32,;9.3,-2.07,;7.83,-2.55,)| Show InChI InChI=1S/C25H33N5O4S2/c1-29(25-23-11-13-26-24(23)27-18-28-25)21-9-7-20(8-10-21)17-36(33,34)30-14-12-22(15-30)35(31,32)16-19-5-3-2-4-6-19/h2-6,11,13,18,20-22H,7-10,12,14-17H2,1H3,(H,26,27,28)/t20-,21-,22-/m0/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	146	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))	BDBM113164 (US8633206, 82) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)Cc2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.83,.53,;6.5,-.24,;5.17,.53,;5.17,2.07,;3.83,2.84,;2.5,2.07,;1.17,2.84,;-.17,2.07,;-.17,.53,;1.17,1.3,;-1.5,2.84,;-1.49,4.38,;-2.95,4.86,;-3.86,3.61,;-2.95,2.37,;-5.34,3.21,;-6.43,4.3,;-6.83,2.81,;-5.74,1.73,;-7.23,1.33,;-8.32,2.42,;-9.81,2.02,;-10.2,.53,;-9.11,-.56,;-7.63,-.16,;2.5,.53,;3.83,-.24,;6.5,-1.78,;5.17,-2.55,;5.17,-4.09,;6.5,-4.86,;7.83,-4.09,;9.3,-4.56,;10.2,-3.32,;9.3,-2.07,;7.83,-2.55,)| Show InChI InChI=1S/C25H33N5O4S2/c1-29(25-23-11-13-26-24(23)27-18-28-25)21-9-7-20(8-10-21)17-36(33,34)30-14-12-22(15-30)35(31,32)16-19-5-3-2-4-6-19/h2-6,11,13,18,20-22H,7-10,12,14-17H2,1H3,(H,26,27,28)/t20-,21-,22-/m0/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	7.34	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))	BDBM113164 (US8633206, 82) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)S(=O)(=O)Cc2ccccc2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(7.83,.53,;6.5,-.24,;5.17,.53,;5.17,2.07,;3.83,2.84,;2.5,2.07,;1.17,2.84,;-.17,2.07,;-.17,.53,;1.17,1.3,;-1.5,2.84,;-1.49,4.38,;-2.95,4.86,;-3.86,3.61,;-2.95,2.37,;-5.34,3.21,;-6.43,4.3,;-6.83,2.81,;-5.74,1.73,;-7.23,1.33,;-8.32,2.42,;-9.81,2.02,;-10.2,.53,;-9.11,-.56,;-7.63,-.16,;2.5,.53,;3.83,-.24,;6.5,-1.78,;5.17,-2.55,;5.17,-4.09,;6.5,-4.86,;7.83,-4.09,;9.3,-4.56,;10.2,-3.32,;9.3,-2.07,;7.83,-2.55,)| Show InChI InChI=1S/C25H33N5O4S2/c1-29(25-23-11-13-26-24(23)27-18-28-25)21-9-7-20(8-10-21)17-36(33,34)30-14-12-22(15-30)35(31,32)16-19-5-3-2-4-6-19/h2-6,11,13,18,20-22H,7-10,12,14-17H2,1H3,(H,26,27,28)/t20-,21-,22-/m0/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	17.4	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