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BDBM270875 US10059709, 21

SMILES: CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1-c1ccccc1

InChI Key: InChIKey=TWVMFQJHNOMQHA-KOMQPUFPSA-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 = 270875   
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 JAK1


(Homo sapiens (Human))
BDBM270875
PNG
(US10059709, 21)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1-c1ccccc1 |r,wU:9.12,wD:6.5,(7.34,2.8,;6,2.03,;4.67,2.8,;5.44,4.13,;3.9,1.46,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-3.33,1.26,;-2,-1.05,;-.67,-1.82,;-.67,-3.36,;.67,-4.13,;-2,-4.13,;-3.33,-3.36,;-3.33,-1.82,;-4.67,-1.05,;-4.67,.49,;-6,1.26,;-7.34,.49,;-7.34,-1.05,;-6,-1.82,)|
Show InChI InChI=1S/C19H27N5O2S/c1-21-27(25,26)13-14-8-10-16(11-9-14)24(2)18-17(12-22-19(20)23-18)15-6-4-3-5-7-15/h3-7,12,14,16,21H,8-11,13H2,1-2H3,(H2,20,22,23)/t14-,16-
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10059709 (2018)


BindingDB Entry DOI: 10.7270/Q25X2BZX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM270875
PNG
(US10059709, 21)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1-c1ccccc1 |r,wU:9.12,wD:6.5,(7.34,2.8,;6,2.03,;4.67,2.8,;5.44,4.13,;3.9,1.46,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-3.33,1.26,;-2,-1.05,;-.67,-1.82,;-.67,-3.36,;.67,-4.13,;-2,-4.13,;-3.33,-3.36,;-3.33,-1.82,;-4.67,-1.05,;-4.67,.49,;-6,1.26,;-7.34,.49,;-7.34,-1.05,;-6,-1.82,)|
Show InChI InChI=1S/C19H27N5O2S/c1-21-27(25,26)13-14-8-10-16(11-9-14)24(2)18-17(12-22-19(20)23-18)15-6-4-3-5-7-15/h3-7,12,14,16,21H,8-11,13H2,1-2H3,(H2,20,22,23)/t14-,16-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10059709 (2018)


BindingDB Entry DOI: 10.7270/Q25X2BZX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM270875
PNG
(US10059709, 21)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1nc(N)ncc1-c1ccccc1 |r,wU:9.12,wD:6.5,(7.34,2.8,;6,2.03,;4.67,2.8,;5.44,4.13,;3.9,1.46,;3.33,3.57,;2,2.8,;.67,3.57,;-.67,2.8,;-.67,1.26,;.67,.49,;2,1.26,;-2,.49,;-3.33,1.26,;-2,-1.05,;-.67,-1.82,;-.67,-3.36,;.67,-4.13,;-2,-4.13,;-3.33,-3.36,;-3.33,-1.82,;-4.67,-1.05,;-4.67,.49,;-6,1.26,;-7.34,.49,;-7.34,-1.05,;-6,-1.82,)|
Show InChI InChI=1S/C19H27N5O2S/c1-21-27(25,26)13-14-8-10-16(11-9-14)24(2)18-17(12-22-19(20)23-18)15-6-4-3-5-7-15/h3-7,12,14,16,21H,8-11,13H2,1-2H3,(H2,20,22,23)/t14-,16-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10059709 (2018)


BindingDB Entry DOI: 10.7270/Q25X2BZX
More data for this
Ligand-Target Pair