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PubMed code 26455654

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50128684
PNG
(CHEMBL3628627)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)N2CCOCC2)c1
Show InChI InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50128684
PNG
(CHEMBL3628627)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(nc2-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)N2CCOCC2)c1
Show InChI InChI=1S/C30H26F2N6O5S3/c1-45(39,40)22-8-3-6-20(18-22)34-29-33-12-11-25(35-29)27-26(36-30(44-27)38-13-15-43-16-14-38)19-5-2-7-21(17-19)37-46(41,42)28-23(31)9-4-10-24(28)32/h2-12,17-18,37H,13-16H2,1H3,(H,33,34,35)
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n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50128687
PNG
(CHEMBL3628628)
Show SMILES COCCNC(=O)c1ccc2n(CCOC)c(nc2c1)-c1cnc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O3/c1-31-11-9-25-23(30)16-5-8-20-18(13-16)28-22(29(20)10-12-32-2)19-14-26-21(27-19)15-3-6-17(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50139604
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1
Show InChI InChI=1S/C19H20N4O3/c1-19(2,3)16-12-17(23-26-16)22-18(24)21-13-4-6-14(7-5-13)25-15-8-10-20-11-9-15/h4-12H,1-3H3,(H2,21,22,23,24)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells assessed as reduction in autophosphorylation pre-incubated for 30 mi...


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50045333
PNG
(CHEBI:90705 | SB-203580)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
PDB

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PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50139604
PNG
(1-(5-tert-Butyl-isoxazol-3-yl)-3-[4-(pyridin-4-ylo...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1
Show InChI InChI=1S/C19H20N4O3/c1-19(2,3)16-12-17(23-26-16)22-18(24)21-13-4-6-14(7-5-13)25-15-8-10-20-11-9-15/h4-12H,1-3H3,(H2,21,22,23,24)
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n/an/a 320n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50128687
PNG
(CHEMBL3628628)
Show SMILES COCCNC(=O)c1ccc2n(CCOC)c(nc2c1)-c1cnc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClN5O3/c1-31-11-9-25-23(30)16-5-8-20-18(13-16)28-22(29(20)10-12-32-2)19-14-26-21(27-19)15-3-6-17(24)7-4-15/h3-8,13-14H,9-12H2,1-2H3,(H,25,30)(H,26,27)
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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full-length FLAG-6His-TEV tagged human RIP2 expressed in Sf9 cells by fluorescent polarization assay


Bioorg Med Chem 23: 7000-6 (2015)


Article DOI: 10.1016/j.bmc.2015.09.038
BindingDB Entry DOI: 10.7270/Q26D5VTM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%