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BDBM50536410 CHEMBL4561692

SMILES: COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1

InChI Key: InChIKey=INNGAVFDQLSCJJ-UHFFFAOYSA-N

Data: 32 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 32 hits for monomerid = 50536410   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A/B


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PIP4K2A (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
mTOR/FKBP12A/FKBP12B


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of FRAP1 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins in pr...


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human PBMC assessed as reduction in cytostim-induced IFNgamma production after 20 hrs by electrochemiluminescence assay


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of choline kinase alpha (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK1 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PI4K2A (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PIK4A (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PDE4B (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
DNA-PK/Ku70/Ku85


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of DNA-PK (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase, PI4K


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PIK4B (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Choline/ethanolamine kinase


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of CHKB (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of DAGK zeta (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
p38 MAP kinase alpha/beta


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of P38alpha (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PIK3C2B (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta in human PBMC assessed as reduction in cytostim-induced IFNgamma production after 20 hrs by electrochemiluminescence assay


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of ASK1 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50536410
PNG
(CHEMBL4561692)
Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,24H,3-6,11-13H2,1-2H3,(H,23,26)
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKK2 (unknown origin)


J Med Chem 59: 7239-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00799
More data for this
Ligand-Target Pair