BDBM113189 US8633206, 107

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=JAAQWLZNQLJPCN-FHWLQOOXSA-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 = 113189   

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))	BDBM113189 (US8633206, 107) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)| Show InChI InChI=1S/C23H30N6O2S/c1-28(23-20-9-12-25-22(20)26-16-27-23)19-7-5-17(6-8-19)15-32(30,31)29-13-10-18(14-29)21-4-2-3-11-24-21/h2-4,9,11-12,16-19H,5-8,10,13-15H2,1H3,(H,25,26,27)/t17-,18-,19-/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	36.3	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))	BDBM113189 (US8633206, 107) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)| Show InChI InChI=1S/C23H30N6O2S/c1-28(23-20-9-12-25-22(20)26-16-27-23)19-7-5-17(6-8-19)15-32(30,31)29-13-10-18(14-29)21-4-2-3-11-24-21/h2-4,9,11-12,16-19H,5-8,10,13-15H2,1H3,(H,25,26,27)/t17-,18-,19-/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	2.54	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))	BDBM113189 (US8633206, 107) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)c2ccccn2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,13.15,wD:2.1,(6.89,.53,;5.56,-.24,;4.22,.53,;4.22,2.07,;2.89,2.84,;1.56,2.07,;.22,2.84,;-1.11,2.07,;-1.11,.53,;.22,1.3,;-2.44,2.84,;-2.43,4.38,;-3.89,4.86,;-4.8,3.61,;-3.89,2.37,;-6.29,3.21,;-7.37,4.3,;-8.86,3.9,;-9.26,2.42,;-8.17,1.33,;-6.68,1.73,;1.56,.53,;2.89,-.24,;5.56,-1.78,;4.22,-2.55,;4.22,-4.09,;5.56,-4.86,;6.89,-4.09,;8.36,-4.56,;9.26,-3.32,;8.36,-2.07,;6.89,-2.55,)| Show InChI InChI=1S/C23H30N6O2S/c1-28(23-20-9-12-25-22(20)26-16-27-23)19-7-5-17(6-8-19)15-32(30,31)29-13-10-18(14-29)21-4-2-3-11-24-21/h2-4,9,11-12,16-19H,5-8,10,13-15H2,1H3,(H,25,26,27)/t17-,18-,19-/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	6.22	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