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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 391293   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391293
PNG
(4-((1-(4-(cyanomethyl)-1- (cyclopropylsulfonyl)pip...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)S(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C24H29N7O5S2/c1-29(2)37(33,34)18-5-3-17(4-6-18)27-22-21-20(9-14-26-23(21)32)31(28-22)24(10-13-25)11-15-30(16-12-24)38(35,36)19-7-8-19/h3-6,9,14,19H,7-8,10-12,15-16H2,1-2H3,(H,26,32)(H,27,28)
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0600n/an/an/an/an/an/a



GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391293
PNG
(4-((1-(4-(cyanomethyl)-1- (cyclopropylsulfonyl)pip...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)S(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C24H29N7O5S2/c1-29(2)37(33,34)18-5-3-17(4-6-18)27-22-21-20(9-14-26-23(21)32)31(28-22)24(10-13-25)11-15-30(16-12-24)38(35,36)19-7-8-19/h3-6,9,14,19H,7-8,10-12,15-16H2,1-2H3,(H,26,32)(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.120n/an/an/an/an/an/a



GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair