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BDBM113152 US8633206, 70

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

InChI Key: InChIKey=NETGVMWNCJQIAR-JCUKGLBFNA-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 = 113152   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM113152
PNG
(US8633206, 70)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](F)C2)CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C18H26FN5O2S/c1-23(18-16-6-8-20-17(16)21-12-22-18)15-4-2-13(3-5-15)11-27(25,26)24-9-7-14(19)10-24/h6,8,12-15H,2-5,7,9-11H2,1H3,(H,20,21,22)/t13-,14-,15-/s2
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PC cid
PC sid
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Similars

US Patent
n/an/a 319n/an/an/an/a7.4n/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))
BDBM113152
PNG
(US8633206, 70)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](F)C2)CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C18H26FN5O2S/c1-23(18-16-6-8-20-17(16)21-12-22-18)15-4-2-13(3-5-15)11-27(25,26)24-9-7-14(19)10-24/h6,8,12-15H,2-5,7,9-11H2,1H3,(H,20,21,22)/t13-,14-,15-/s2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20.8n/an/an/an/a7.4n/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))
BDBM113152
PNG
(US8633206, 70)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](F)C2)CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C18H26FN5O2S/c1-23(18-16-6-8-20-17(16)21-12-22-18)15-4-2-13(3-5-15)11-27(25,26)24-9-7-14(19)10-24/h6,8,12-15H,2-5,7,9-11H2,1H3,(H,20,21,22)/t13-,14-,15-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 36.4n/an/an/an/a7.4n/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