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BDBM50350908 CHEMBL520308

SMILES: CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12

InChI Key: InChIKey=FKJNWJPAAVSRNX-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50350908   
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
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase


Bioorg Med Chem Lett 19: 2504-8 (2009)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay


J Med Chem 54: 5131-43 (2011)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK2 in human A549 cells assessed as inhibition of TNFalpha-induced NFKB activation


Bioorg Med Chem Lett 22: 5222-6 (2012)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens)
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK1 in presence of 1 uM ATP


Bioorg Med Chem Lett 22: 5222-6 (2012)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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n/an/a 39.8n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK2 in presence of 1 uM ATP


Bioorg Med Chem Lett 22: 5222-6 (2012)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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n/an/a<2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta kinase


Bioorg Med Chem Lett 19: 2504-8 (2009)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IKK2


Bioorg Med Chem Lett 19: 2504-8 (2009)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens)
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IKK1


Bioorg Med Chem Lett 19: 2504-8 (2009)

More data for this
Ligand-Target Pair
Aurora kinase A-interacting protein


(Homo sapiens)
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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PubMed
n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase


Bioorg Med Chem Lett 19: 2504-8 (2009)

More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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PubMed
n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ROCK1


Bioorg Med Chem Lett 19: 2504-8 (2009)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50350908
PNG
(CHEMBL520308)
Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
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n/an/a 40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human IKKbeta using GST-IkappaBalpha as substrate


Eur J Med Chem 63: 269-78 (2013)

More data for this
Ligand-Target Pair