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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50361208   
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 JAK2


(Homo sapiens (Human))
BDBM50361208
PNG
(CHEMBL1934337)
Show SMILES CC(C)(C)NS(=O)(=O)c1cccc(c1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C29H35N7O3S/c1-29(2,3)34-40(38,39)25-6-4-5-22(17-25)26-12-11-24-18-31-28(33-36(24)26)32-23-9-7-20(8-10-23)21-13-15-35(16-14-21)19-27(30)37/h4-12,17-18,21,34H,13-16,19H2,1-3H3,(H2,30,37)(H,32,33)
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n/an/a 0.640n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50361208
PNG
(CHEMBL1934337)
Show SMILES CC(C)(C)NS(=O)(=O)c1cccc(c1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C29H35N7O3S/c1-29(2,3)34-40(38,39)25-6-4-5-22(17-25)26-12-11-24-18-31-28(33-36(24)26)32-23-9-7-20(8-10-23)21-13-15-35(16-14-21)19-27(30)37/h4-12,17-18,21,34H,13-16,19H2,1-3H3,(H2,30,37)(H,32,33)
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n/an/a 5.70n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAK expressed in baculovirus expression system after 30 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50361208
PNG
(CHEMBL1934337)
Show SMILES CC(C)(C)NS(=O)(=O)c1cccc(c1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C29H35N7O3S/c1-29(2,3)34-40(38,39)25-6-4-5-22(17-25)26-12-11-24-18-31-28(33-36(24)26)32-23-9-7-20(8-10-23)21-13-15-35(16-14-21)19-27(30)37/h4-12,17-18,21,34H,13-16,19H2,1-3H3,(H2,30,37)(H,32,33)
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n/an/a 90n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2 expressed in baculovirus expression system after 20 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50361208
PNG
(CHEMBL1934337)
Show SMILES CC(C)(C)NS(=O)(=O)c1cccc(c1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C29H35N7O3S/c1-29(2,3)34-40(38,39)25-6-4-5-22(17-25)26-12-11-24-18-31-28(33-36(24)26)32-23-9-7-20(8-10-23)21-13-15-35(16-14-21)19-27(30)37/h4-12,17-18,21,34H,13-16,19H2,1-3H3,(H2,30,37)(H,32,33)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAK in human 293GT cells after 1 hr by luminescence-based spectrophotometry


Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair