Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.5 BDBM50536410

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 32 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50536410 (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)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50536410 (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)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50536410 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50536410 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase type 2-alpha (Homo sapiens (Human))	BDBM50536410 (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)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (Homo sapiens (Human))	BDBM50536410 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50536410 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50536410 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50536410 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50536410 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Choline/ethanolamine kinase (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Diacylglycerol kinase zeta (Homo sapiens)	BDBM50536410 (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)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (Homo sapiens (Human))	BDBM50536410 (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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50536410 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50536410 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50536410 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50536410 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (Homo sapiens)	BDBM50536410 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50536410 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50536410 (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)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 BindingDB Entry DOI: 10.7270/Q26M3BBF
					More data for this Ligand-Target Pair