Compile Data Set for Download or QSAR

Found 210 hits Enz. Inhib. hit(s) with all data for entry = 50001198   

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
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271750 (CHEMBL4126095) Show SMILES Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C27H28N4O3/c1-18-16-21(34-15-12-31-10-13-33-14-11-31)6-7-22(18)25-17-24-23(8-9-29-27(24)30-25)19-2-4-20(5-3-19)26(28)32/h2-9,16-17H,10-15H2,1H3,(H2,28,32)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271748 (CHEMBL4128577) Show SMILES COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(C(N)=O)c(c1)C1CCCC1 Show InChI InChI=1S/C26H25N3O2/c1-31-24-9-5-4-8-20(24)23-15-22-18(12-13-28-26(22)29-23)17-10-11-19(25(27)30)21(14-17)16-6-2-3-7-16/h4-5,8-16H,2-3,6-7H2,1H3,(H2,27,30)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271775 (CHEMBL4129590) Show SMILES COc1ccccc1Nc1nccc(n1)-c1ccc(C(O)=O)c(c1)C(C)C Show InChI InChI=1S/C21H21N3O3/c1-13(2)16-12-14(8-9-15(16)20(25)26)17-10-11-22-21(23-17)24-18-6-4-5-7-19(18)27-3/h4-13H,1-3H3,(H,25,26)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271747 (CHEMBL4127245) Show SMILES CC(C)c1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C23H20N2O2/c1-14(2)19-10-16(8-9-18(19)23(26)27)21-13-25-22-20(21)11-17(12-24-22)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271734 (CHEMBL4128540) Show SMILES CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C Show InChI InChI=1S/C30H32N4O2/c1-20(2)27-17-22(4-5-23(27)19-31)26-8-9-32-30-28(26)18-29(33-30)25-7-6-24(16-21(25)3)36-15-12-34-10-13-35-14-11-34/h4-9,16-18,20H,10-15H2,1-3H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271738 (CHEMBL4129219) Show SMILES COc1ccccc1Nc1ncc(F)c(n1)-c1ccc(C(O)=O)c(c1)C(C)C Show InChI InChI=1S/C21H20FN3O3/c1-12(2)15-10-13(8-9-14(15)20(26)27)19-16(22)11-23-21(25-19)24-17-6-4-5-7-18(17)28-3/h4-12H,1-3H3,(H,26,27)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50296011 (2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin...) Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271780 (CHEMBL4126511) Show SMILES CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C Show InChI InChI=1S/C30H34N4O3/c1-19(2)26-17-21(4-6-25(26)29(31)35)24-8-9-32-30-27(24)18-28(33-30)23-7-5-22(16-20(23)3)37-15-12-34-10-13-36-14-11-34/h4-9,16-19H,10-15H2,1-3H3,(H2,31,35)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271739 (CHEMBL4126740) Show SMILES CN(C)CCCNC(=O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H27N5O2/c1-31(2)14-4-12-29-26(33)20-6-3-5-19(15-20)23-16-22-21(11-13-28-25(22)30-23)17-7-9-18(10-8-17)24(27)32/h3,5-11,13,15-16H,4,12,14H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271774 (CHEMBL4128459) Show SMILES CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C Show InChI InChI=1S/C29H30N4O/c1-19(2)25-15-22(6-7-23(25)17-30)24-8-9-31-29-27(24)16-28(32-29)26-14-21(5-4-20(26)3)18-33-10-12-34-13-11-33/h4-9,14-16,19H,10-13,18H2,1-3H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271728 (CHEMBL4127977) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-4-2-3-15(11-16)19-12-18-17(9-10-23-21(18)24-19)13-5-7-14(8-6-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50271756 (CHEMBL4127319) Show SMILES OC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C23H17N3O2/c27-22(28)18-11-9-17(10-12-18)21-13-14-24-23(26-21)25-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271744 (CHEMBL4128939) Show SMILES Cc1c(CN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-20(16-30-11-13-32-14-12-30)3-2-4-21(17)24-15-23-22(9-10-28-26(23)29-24)18-5-7-19(8-6-18)25(27)31/h2-10,15H,11-14,16H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271752 (CHEMBL4128114) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271751 (CHEMBL4127140) Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H27N5O2/c1-31(2)15-3-13-29-26(33)20-10-6-18(7-11-20)23-16-22-21(12-14-28-25(22)30-23)17-4-8-19(9-5-17)24(27)32/h4-12,14,16H,3,13,15H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271729 (CHEMBL4128717) Show SMILES Cc1c(OCCN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C27H28N4O3/c1-18-21(3-2-4-25(18)34-16-13-31-11-14-33-15-12-31)24-17-23-22(9-10-29-27(23)30-24)19-5-7-20(8-6-19)26(28)32/h2-10,17H,11-16H2,1H3,(H2,28,32)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271740 (CHEMBL4127330) Show SMILES Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-2-3-18(16-30-10-12-32-13-11-30)14-22(17)24-15-23-21(8-9-28-26(23)29-24)19-4-6-20(7-5-19)25(27)31/h2-9,14-15H,10-13,16H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271788 (CHEMBL4127064) Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2nc(ccc12)C#N Show InChI InChI=1S/C20H17N3O2/c21-10-14-6-8-15-18(11-22-19(15)23-14)13-5-7-16(20(24)25)17(9-13)12-3-1-2-4-12/h5-9,11-12H,1-4H2,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271777 (CHEMBL4129362) Show SMILES COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H17N3O2/c1-26-19-5-3-2-4-16(19)18-12-17-15(10-11-23-21(17)24-18)13-6-8-14(9-7-13)20(22)25/h2-12H,1H3,(H2,22,25)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271755 (CHEMBL4129843) Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(Nc2cc(ccc2F)-c2ccccc2)n1 Show InChI InChI=1S/C23H17FN4O/c24-19-11-10-18(15-4-2-1-3-5-15)14-21(19)28-23-26-13-12-20(27-23)16-6-8-17(9-7-16)22(25)29/h1-14H,(H2,25,29)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271741 (CHEMBL4129791) Show SMILES CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C Show InChI InChI=1S/C29H32N4O2/c1-18(2)24-15-21(6-7-23(24)28(30)34)22-8-9-31-29-26(22)16-27(32-29)25-14-20(5-4-19(25)3)17-33-10-12-35-13-11-33/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,34)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50296009 (2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)...) Show SMILES CCc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C22H18N2O2/c1-2-14-10-16(8-9-18(14)22(25)26)20-13-24-21-19(20)11-17(12-23-21)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271776 (CHEMBL4125907) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-3-5-17(6-4-15)21-13-20-19(11-12-25-23(20)26-21)16-7-9-18(10-8-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271778 (CHEMBL4130310) Show SMILES Cc1cc(CN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-14-18(16-30-10-12-32-13-11-30)2-7-21(17)24-15-23-22(8-9-28-26(23)29-24)19-3-5-20(6-4-19)25(27)31/h2-9,14-15H,10-13,16H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50296010 (2-isobutyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-...) Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C24H22N2O2/c1-15(2)10-18-11-17(8-9-20(18)24(27)28)22-14-26-23-21(22)12-19(13-25-23)16-6-4-3-5-7-16/h3-9,11-15H,10H2,1-2H3,(H,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271745 (CHEMBL4126566) Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C23H18N4O/c24-22(28)18-11-9-17(10-12-18)21-13-14-25-23(27-21)26-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H2,24,28)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Mus musculus)	BDBM50271740 (CHEMBL4127330) Show SMILES Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-2-3-18(16-30-10-12-32-13-11-30)14-22(17)24-15-23-21(8-9-28-26(23)29-24)19-4-6-20(7-5-19)25(27)31/h2-9,14-15H,10-13,16H2,1H3,(H2,27,31)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50271752 (CHEMBL4128114) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IKK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50271745 (CHEMBL4126566) Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C23H18N4O/c24-22(28)18-11-9-17(10-12-18)21-13-14-25-23(27-21)26-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H2,24,28)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271779 (CHEMBL4127479) Show SMILES Cc1ccc(OCCN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C27H28N4O3/c1-18-2-7-21(34-15-12-31-10-13-33-14-11-31)16-23(18)25-17-24-22(8-9-29-27(24)30-25)19-3-5-20(6-4-19)26(28)32/h2-9,16-17H,10-15H2,1H3,(H2,28,32)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271730 (CHEMBL4125774) Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-4-3-5-18(12-15)21-13-20-19(10-11-25-23(20)26-21)16-6-8-17(9-7-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271789 (CHEMBL4125686) Show SMILES OC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C19H18N2O2/c22-19(23)15-8-7-13(10-16(15)12-4-1-2-5-12)17-11-21-18-14(17)6-3-9-20-18/h3,6-12H,1-2,4-5H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271793 (CHEMBL4128483) Show SMILES Cc1cc(ccc1C(O)=O)-c1c[nH]c2ncc(cc12)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2/c1-13-9-15(7-8-17(13)21(24)25)19-12-23-20-18(19)10-16(11-22-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271794 (CHEMBL4126272) Show SMILES OC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C26H18N2O3/c29-26(30)18-12-10-17(11-13-18)23-16-28-25-22(23)14-19(15-27-25)21-8-4-5-9-24(21)31-20-6-2-1-3-7-20/h1-16H,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50271752 (CHEMBL4128114) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C21H18N4O3S/c1-29(27,28)25-16-8-6-14(7-9-16)19-12-18-17(10-11-23-21(18)24-19)13-2-4-15(5-3-13)20(22)26/h2-12,25H,1H3,(H2,22,26)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Mus musculus)	BDBM50271780 (CHEMBL4126511) Show SMILES CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C Show InChI InChI=1S/C30H34N4O3/c1-19(2)26-17-21(4-6-25(26)29(31)35)24-8-9-32-30-27(24)18-28(33-30)23-7-5-22(16-20(23)3)37-15-12-34-10-13-36-14-11-34/h4-9,16-19H,10-15H2,1-3H3,(H2,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50271776 (CHEMBL4125907) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-3-5-17(6-4-15)21-13-20-19(11-12-25-23(20)26-21)16-7-9-18(10-8-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50271751 (CHEMBL4127140) Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H27N5O2/c1-31(2)15-3-13-29-26(33)20-10-6-18(7-11-20)23-16-22-21(12-14-28-25(22)30-23)17-4-8-19(9-5-17)24(27)32/h4-12,14,16H,3,13,15H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IKK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50271776 (CHEMBL4125907) Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-3-5-17(6-4-15)21-13-20-19(11-12-25-23(20)26-21)16-7-9-18(10-8-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IKK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50271730 (CHEMBL4125774) Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H22N4O/c1-27(2)14-15-4-3-5-18(12-15)21-13-20-19(10-11-25-23(20)26-21)16-6-8-17(9-7-16)22(24)28/h3-13H,14H2,1-2H3,(H2,24,28)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IKK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50271744 (CHEMBL4128939) Show SMILES Cc1c(CN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-20(16-30-11-13-32-14-12-30)3-2-4-21(17)24-15-23-22(9-10-28-26(23)29-24)18-5-7-19(8-6-18)25(27)31/h2-10,15H,11-14,16H2,1H3,(H2,27,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IKK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271756 (CHEMBL4127319) Show SMILES OC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C23H17N3O2/c27-22(28)18-11-9-17(10-12-18)21-13-14-24-23(26-21)25-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50271745 (CHEMBL4126566) Show SMILES NC(=O)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C23H18N4O/c24-22(28)18-11-9-17(10-12-18)21-13-14-25-23(27-21)26-20-8-4-7-19(15-20)16-5-2-1-3-6-16/h1-15H,(H2,24,28)(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271797 (CHEMBL4130255) Show SMILES NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccccc1Oc1ccccc1 Show InChI InChI=1S/C26H19N3O2/c27-25(30)18-12-10-17(11-13-18)23-16-29-26-22(23)14-19(15-28-26)21-8-4-5-9-24(21)31-20-6-2-1-3-7-20/h1-16H,(H2,27,30)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Mus musculus)	BDBM50271748 (CHEMBL4128577) Show SMILES COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(C(N)=O)c(c1)C1CCCC1 Show InChI InChI=1S/C26H25N3O2/c1-31-24-9-5-4-8-20(24)23-15-22-18(12-13-28-26(22)29-23)17-10-11-19(25(27)30)21(14-17)16-6-2-3-7-16/h4-5,8-16H,2-3,6-7H2,1H3,(H2,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CAMKK2 in mouse N39 cells assessed as decrease in AMPKalpha phosphorylation at T172 preincubated for 80 mins followed by inomycin addit...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271737 (CHEMBL4128950) Show SMILES NC(=O)c1ccc(cc1C1CCCC1)-c1c[nH]c2ncc(cc12)-c1ccccc1O Show InChI InChI=1S/C25H23N3O2/c26-24(30)19-10-9-16(11-20(19)15-5-1-2-6-15)22-14-28-25-21(22)12-17(13-27-25)18-7-3-4-8-23(18)29/h3-4,7-15,29H,1-2,5-6H2,(H2,26,30)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50271792 (CHEMBL546682 | TCMDC-136271) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C21H16N2O4S/c1-28(26,27)17-4-2-3-15(9-17)16-10-18-19(12-23-20(18)22-11-16)13-5-7-14(8-6-13)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human GST-tagged CAMKK2 using 5FAM-AKPKGNKDYHLQTCCGSLAYRRR-amide as substrate preincubated for 30 mins followed by substrat...				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50271778 (CHEMBL4130310) Show SMILES Cc1cc(CN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H26N4O2/c1-17-14-18(16-30-10-12-32-13-11-30)2-7-21(17)24-15-23-22(8-9-28-26(23)29-24)19-3-5-20(6-4-19)25(27)31/h2-9,14-15H,10-13,16H2,1H3,(H2,27,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IKK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50271751 (CHEMBL4127140) Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C26H27N5O2/c1-31(2)15-3-13-29-26(33)20-10-6-18(7-11-20)23-16-22-21(12-14-28-25(22)30-23)17-4-8-19(9-5-17)24(27)32/h4-12,14,16H,3,13,15H2,1-2H3,(H2,27,32)(H,28,30)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha (Homo sapiens (Human))	BDBM50271750 (CHEMBL4126095) Show SMILES Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C27H28N4O3/c1-18-16-21(34-15-12-31-10-13-33-14-11-31)6-7-22(18)25-17-24-23(8-9-29-27(24)30-25)19-2-4-20(5-3-19)26(28)32/h2-9,16-17H,10-15H2,1H3,(H2,28,32)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of IKK1 (unknown origin)				Bioorg Med Chem Lett 28: 1958-1963 (2018) Article DOI: 10.1016/j.bmcl.2018.03.034 BindingDB Entry DOI: 10.7270/Q2QZ2DFB
					More data for this Ligand-Target Pair

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