BDBM113150 US8633206, 68

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

InChI Key: InChIKey=ZJVHOOYSNPZCAM-BZUAXINKSA-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 = 113150   

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))	BDBM113150 (US8633206, 68) Show SMILES CO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,2.1,wD:14.18,(-7.52,5.8,;-6.03,5.4,;-5.63,3.91,;-6.54,2.67,;-5.63,1.42,;-4.19,1.9,;-4.17,3.44,;-2.85,1.13,;-2.85,-.41,;-1.52,.36,;-1.52,1.9,;-.18,1.13,;1.15,1.9,;2.48,1.13,;2.48,-.41,;1.15,-1.18,;-.18,-.41,;3.82,-1.18,;5.15,-.41,;3.82,-2.72,;2.48,-3.49,;2.48,-5.03,;3.82,-5.8,;5.15,-5.03,;6.61,-5.51,;7.52,-4.26,;6.61,-3.02,;5.15,-3.49,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-7-9-20-18(17)21-13-22-19)15-5-3-14(4-6-15)12-28(25,26)24-10-8-16(11-24)27-2/h7,9,13-16H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,16-/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	468	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))	BDBM113150 (US8633206, 68) Show SMILES CO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,2.1,wD:14.18,(-7.52,5.8,;-6.03,5.4,;-5.63,3.91,;-6.54,2.67,;-5.63,1.42,;-4.19,1.9,;-4.17,3.44,;-2.85,1.13,;-2.85,-.41,;-1.52,.36,;-1.52,1.9,;-.18,1.13,;1.15,1.9,;2.48,1.13,;2.48,-.41,;1.15,-1.18,;-.18,-.41,;3.82,-1.18,;5.15,-.41,;3.82,-2.72,;2.48,-3.49,;2.48,-5.03,;3.82,-5.8,;5.15,-5.03,;6.61,-5.51,;7.52,-4.26,;6.61,-3.02,;5.15,-3.49,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-7-9-20-18(17)21-13-22-19)15-5-3-14(4-6-15)12-28(25,26)24-10-8-16(11-24)27-2/h7,9,13-16H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,16-/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	11.9	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))	BDBM113150 (US8633206, 68) Show SMILES CO[C@@H]1CCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:11.11,2.1,wD:14.18,(-7.52,5.8,;-6.03,5.4,;-5.63,3.91,;-6.54,2.67,;-5.63,1.42,;-4.19,1.9,;-4.17,3.44,;-2.85,1.13,;-2.85,-.41,;-1.52,.36,;-1.52,1.9,;-.18,1.13,;1.15,1.9,;2.48,1.13,;2.48,-.41,;1.15,-1.18,;-.18,-.41,;3.82,-1.18,;5.15,-.41,;3.82,-2.72,;2.48,-3.49,;2.48,-5.03,;3.82,-5.8,;5.15,-5.03,;6.61,-5.51,;7.52,-4.26,;6.61,-3.02,;5.15,-3.49,)| Show InChI InChI=1S/C19H29N5O3S/c1-23(19-17-7-9-20-18(17)21-13-22-19)15-5-3-14(4-6-15)12-28(25,26)24-10-8-16(11-24)27-2/h7,9,13-16H,3-6,8,10-12H2,1-2H3,(H,20,21,22)/t14-,15-,16-/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	41.8	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