BDBM113216 US8633206, 135

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

InChI Key: InChIKey=QMHIFZZTSBMKGF-NXOAAHMSSA-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 = 113216   

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 JAK1 (Homo sapiens (Human))	BDBM113216 (US8633206, 135) Show SMILES C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)| Show InChI InChI=1S/C20H31N5O3S/c1-14-9-25(10-16(14)11-26)29(27,28)12-15-3-5-17(6-4-15)24(2)20-18-7-8-21-19(18)22-13-23-20/h7-8,13-17,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15-,16+,17-/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	0.00199	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))	BDBM113216 (US8633206, 135) Show SMILES C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)| Show InChI InChI=1S/C20H31N5O3S/c1-14-9-25(10-16(14)11-26)29(27,28)12-15-3-5-17(6-4-15)24(2)20-18-7-8-21-19(18)22-13-23-20/h7-8,13-17,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15-,16+,17-/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	0.0165	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 JAK3 (Homo sapiens (Human))	BDBM113216 (US8633206, 135) Show SMILES C[C@H]1CN(C[C@@H]1CO)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:15.19,5.6,wD:12.12,1.0,(4.56,5.52,;3.79,4.19,;2.33,3.72,;2.33,2.18,;3.79,1.7,;4.7,2.95,;6.24,2.95,;7.01,1.61,;.99,1.41,;.22,.07,;1.76,.07,;-.34,2.18,;-1.67,1.41,;-3.01,2.18,;-4.34,1.41,;-4.34,-.13,;-3.01,-.9,;-1.67,-.13,;-5.67,-.9,;-7.01,-.13,;-5.67,-2.44,;-7.01,-3.21,;-7.01,-4.75,;-5.67,-5.52,;-4.34,-4.75,;-2.88,-5.23,;-1.97,-3.98,;-2.88,-2.74,;-4.34,-3.21,)| Show InChI InChI=1S/C20H31N5O3S/c1-14-9-25(10-16(14)11-26)29(27,28)12-15-3-5-17(6-4-15)24(2)20-18-7-8-21-19(18)22-13-23-20/h7-8,13-17,26H,3-6,9-12H2,1-2H3,(H,21,22,23)/t14-,15-,16+,17-/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	0.198	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