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BDBM113146 US8633206, 64

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C2)C#N)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=SFTGKSFOQGMLNO-BRWVUGGUSA-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 = 113146   
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))
BDBM113146
PNG
(US8633206, 64)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C2)C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.16,wD:2.1,(6.15,.38,;4.82,-.38,;3.48,.38,;3.48,1.93,;2.15,2.69,;.82,1.93,;-.52,2.69,;-1.85,1.93,;-1.85,.38,;-.52,1.15,;-3.19,2.69,;-3.19,4.23,;-4.52,5,;-5.85,4.23,;-5.85,2.69,;-4.52,1.93,;-7.19,1.93,;-8.52,1.16,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.69,;3.48,-4.23,;4.82,-5,;6.15,-4.23,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.69,)|
Show InChI InChI=1S/C20H28N6O2S/c1-25(20-18-8-9-22-19(18)23-14-24-20)17-6-4-15(5-7-17)13-29(27,28)26-10-2-3-16(11-21)12-26/h8-9,14-17H,2-7,10,12-13H2,1H3,(H,22,23,24)/t15-,16-,17-/m1/s1
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US Patent
n/an/a 263n/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))
BDBM113146
PNG
(US8633206, 64)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C2)C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.16,wD:2.1,(6.15,.38,;4.82,-.38,;3.48,.38,;3.48,1.93,;2.15,2.69,;.82,1.93,;-.52,2.69,;-1.85,1.93,;-1.85,.38,;-.52,1.15,;-3.19,2.69,;-3.19,4.23,;-4.52,5,;-5.85,4.23,;-5.85,2.69,;-4.52,1.93,;-7.19,1.93,;-8.52,1.16,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.69,;3.48,-4.23,;4.82,-5,;6.15,-4.23,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.69,)|
Show InChI InChI=1S/C20H28N6O2S/c1-25(20-18-8-9-22-19(18)23-14-24-20)17-6-4-15(5-7-17)13-29(27,28)26-10-2-3-16(11-21)12-26/h8-9,14-17H,2-7,10,12-13H2,1H3,(H,22,23,24)/t15-,16-,17-/m1/s1
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US Patent
n/an/a 2.71n/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))
BDBM113146
PNG
(US8633206, 64)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C2)C#N)CC1)c1ncnc2[nH]ccc12 |r,wU:5.5,14.16,wD:2.1,(6.15,.38,;4.82,-.38,;3.48,.38,;3.48,1.93,;2.15,2.69,;.82,1.93,;-.52,2.69,;-1.85,1.93,;-1.85,.38,;-.52,1.15,;-3.19,2.69,;-3.19,4.23,;-4.52,5,;-5.85,4.23,;-5.85,2.69,;-4.52,1.93,;-7.19,1.93,;-8.52,1.16,;.82,.38,;2.15,-.38,;4.82,-1.93,;3.48,-2.69,;3.48,-4.23,;4.82,-5,;6.15,-4.23,;7.61,-4.71,;8.52,-3.47,;7.61,-2.22,;6.15,-2.69,)|
Show InChI InChI=1S/C20H28N6O2S/c1-25(20-18-8-9-22-19(18)23-14-24-20)17-6-4-15(5-7-17)13-29(27,28)26-10-2-3-16(11-21)12-26/h8-9,14-17H,2-7,10,12-13H2,1H3,(H,22,23,24)/t15-,16-,17-/m1/s1
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PC sid
UniChem
US Patent
n/an/a 32.1n/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