BDBM113162 US8633206, 80

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=WVNZTCRVIFFORW-ANQUJSFKSA-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 = 113162   

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))	BDBM113162 (US8633206, 80) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,12.12,wD:2.1,14.14,(5.95,-.13,;4.61,-.9,;3.28,-.13,;3.28,1.41,;1.95,2.18,;.61,1.41,;-.72,2.18,;-2.05,1.41,;-2.05,-.13,;-.72,.64,;-3.39,2.18,;-3.37,3.72,;-4.84,4.19,;-5.61,5.52,;-5.74,2.95,;-7.23,2.55,;-8.32,3.64,;-4.84,1.7,;.61,-.13,;1.95,-.9,;4.61,-2.44,;3.28,-3.21,;3.28,-4.75,;4.61,-5.52,;5.95,-4.75,;7.41,-5.23,;8.32,-3.98,;7.41,-2.74,;5.95,-3.21,)| Show InChI InChI=1S/C19H28FN5O3S/c1-24(19-16-6-7-21-18(16)22-12-23-19)15-4-2-13(3-5-15)11-29(27,28)25-8-14(10-26)17(20)9-25/h6-7,12-15,17,26H,2-5,8-11H2,1H3,(H,21,22,23)/t13-,14-,15-,17+/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	205	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))	BDBM113162 (US8633206, 80) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,12.12,wD:2.1,14.14,(5.95,-.13,;4.61,-.9,;3.28,-.13,;3.28,1.41,;1.95,2.18,;.61,1.41,;-.72,2.18,;-2.05,1.41,;-2.05,-.13,;-.72,.64,;-3.39,2.18,;-3.37,3.72,;-4.84,4.19,;-5.61,5.52,;-5.74,2.95,;-7.23,2.55,;-8.32,3.64,;-4.84,1.7,;.61,-.13,;1.95,-.9,;4.61,-2.44,;3.28,-3.21,;3.28,-4.75,;4.61,-5.52,;5.95,-4.75,;7.41,-5.23,;8.32,-3.98,;7.41,-2.74,;5.95,-3.21,)| Show InChI InChI=1S/C19H28FN5O3S/c1-24(19-16-6-7-21-18(16)22-12-23-19)15-4-2-13(3-5-15)11-29(27,28)25-8-14(10-26)17(20)9-25/h6-7,12-15,17,26H,2-5,8-11H2,1H3,(H,21,22,23)/t13-,14-,15-,17+/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	3.03	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))	BDBM113162 (US8633206, 80) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,12.12,wD:2.1,14.14,(5.95,-.13,;4.61,-.9,;3.28,-.13,;3.28,1.41,;1.95,2.18,;.61,1.41,;-.72,2.18,;-2.05,1.41,;-2.05,-.13,;-.72,.64,;-3.39,2.18,;-3.37,3.72,;-4.84,4.19,;-5.61,5.52,;-5.74,2.95,;-7.23,2.55,;-8.32,3.64,;-4.84,1.7,;.61,-.13,;1.95,-.9,;4.61,-2.44,;3.28,-3.21,;3.28,-4.75,;4.61,-5.52,;5.95,-4.75,;7.41,-5.23,;8.32,-3.98,;7.41,-2.74,;5.95,-3.21,)| Show InChI InChI=1S/C19H28FN5O3S/c1-24(19-16-6-7-21-18(16)22-12-23-19)15-4-2-13(3-5-15)11-29(27,28)25-8-14(10-26)17(20)9-25/h6-7,12-15,17,26H,2-5,8-11H2,1H3,(H,21,22,23)/t13-,14-,15-,17+/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	18.5	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