Compile Data Set for Download or QSAR

Found 302 hits with Last Name = 'davies' and Initial = 'br'   

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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM413448 (9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...) Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:23.25,wD:20.21,(-.77,3.78,;-2.1,3.01,;-3.44,3.78,;-4.77,3.01,;-6.24,3.49,;-7.14,2.24,;-6.24,1,;-4.77,1.47,;-3.44,.7,;-2.1,1.47,;-.77,.7,;.56,1.47,;.56,3.01,;1.9,3.78,;3.23,3.01,;4.7,3.49,;5.17,4.95,;5.6,2.24,;7.14,2.24,;4.7,1,;5.09,-.49,;4.01,-1.58,;4.4,-3.07,;5.89,-3.47,;6.29,-4.95,;6.98,-2.38,;6.58,-.89,;3.23,1.47,;1.9,.7,)| Show InChI InChI=1S/C19H22N8O2/c1-11-7-16-21-10-22-26(16)9-14(11)23-18-20-8-15-17(24-18)27(19(29)25(15)2)12-3-5-13(28)6-4-12/h7-10,12-13,28H,3-6H2,1-2H3,(H,20,23,24)/t12-,13-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	0.0794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599239 (CHEMBL5184141 | US11884671, Example 32) Show SMILES Cc1cc2ncncc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599238 (CHEMBL5181303 | US11884671, Example 29) Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599237 (CHEMBL5180090 | US11884671, Example 30) Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599240 (CHEMBL5194436 | US11884671, Example 31) Show SMILES Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM413460 (9-cyclohexyl-7-methyl-2-((7-methyl-[1,2,4]triazolo...) Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCCCC3)c2n1 Show InChI InChI=1S/C19H22N8O/c1-12-8-16-21-11-22-26(16)10-14(12)23-18-20-9-15-17(24-18)27(19(28)25(15)2)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,20,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526936 (CHEMBL4450232) Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCC(F)(F)CC3)c2n1 Show InChI InChI=1S/C19H20F2N8O/c1-11-7-15-23-10-24-28(15)9-13(11)25-17-22-8-14-16(26-17)29(18(30)27(14)2)12-3-5-19(20,21)6-4-12/h7-10,12H,3-6H2,1-2H3,(H,22,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526938 (CHEMBL4553941) Show SMILES Cc1cc2nccn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:23.25,wD:20.21,(64.98,-58.36,;64.99,-56.83,;66.33,-56.06,;66.33,-54.51,;67.47,-53.48,;66.84,-52.07,;65.31,-52.23,;64.99,-53.74,;63.66,-54.51,;63.66,-56.05,;62.32,-56.81,;60.99,-56.04,;59.67,-56.81,;58.33,-56.05,;58.33,-54.5,;57.18,-53.47,;55.68,-53.79,;57.81,-52.06,;57.04,-50.72,;59.34,-52.22,;60.36,-51.07,;61.86,-51.39,;62.89,-50.25,;62.42,-48.79,;63.45,-47.65,;60.91,-48.47,;59.88,-49.61,;59.66,-53.73,;61,-54.5,)| Show InChI InChI=1S/C20H23N7O2/c1-12-9-17-21-7-8-26(17)11-15(12)23-19-22-10-16-18(24-19)27(20(29)25(16)2)13-3-5-14(28)6-4-13/h7-11,13-14,28H,3-6H2,1-2H3,(H,22,23,24)/t13-,14-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM413456 (9-((1r,4r)-4-hydroxy-4-methylcyclohexyl)-7-methyl-...) Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:20.21,23.25,wD:23.26,(3.5,1.28,;3.5,2.82,;4.83,3.59,;4.83,5.13,;5.97,6.16,;5.35,7.57,;3.82,7.41,;3.5,5.9,;2.16,5.13,;2.16,3.59,;.83,2.82,;-.51,3.59,;-1.84,2.82,;-3.17,3.59,;-3.17,5.13,;-4.32,6.16,;-5.8,5.76,;-3.69,7.57,;-4.46,8.9,;-2.16,7.41,;-1.07,8.5,;-1.47,9.99,;-.38,11.07,;1.11,10.68,;2.59,11.07,;1.11,12.22,;1.51,9.19,;.42,8.1,;-1.84,5.9,;-.51,5.13,)| Show InChI InChI=1S/C20H24N8O2/c1-12-8-16-22-11-23-27(16)10-14(12)24-18-21-9-15-17(25-18)28(19(29)26(15)3)13-4-6-20(2,30)7-5-13/h8-11,13,30H,4-7H2,1-3H3,(H,21,24,25)/t13-,20-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526928 (CHEMBL4555040) Show SMILES COc1ccc(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1 |r,wU:19.19,wD:16.15,(18.33,-22.45,;16.99,-21.68,;15.66,-22.46,;14.32,-21.69,;12.99,-22.47,;12.99,-24.01,;11.65,-24.78,;10.33,-24.01,;9,-24.78,;7.67,-24.02,;7.66,-22.47,;6.52,-21.43,;5.02,-21.75,;7.14,-20.03,;6.38,-18.69,;8.67,-20.19,;9.69,-19.04,;11.19,-19.36,;12.22,-18.22,;11.75,-16.76,;12.78,-15.63,;10.25,-16.44,;9.21,-17.58,;9,-21.69,;10.34,-22.47,;14.33,-24.78,;14.33,-26.32,;15.67,-24.01,)| Show InChI InChI=1S/C20H25N5O3/c1-12-10-15(28-3)8-9-16(12)22-19-21-11-17-18(23-19)25(20(27)24(17)2)13-4-6-14(26)7-5-13/h8-11,13-14,26H,4-7H2,1-3H3,(H,21,22,23)/t13-,14-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599247 (CHEMBL5197250) Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCN(C3)C3COC3)c2n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526932 (CHEMBL4474647) Show SMILES Cc1cc2nccn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI InChI=1S/C19H21N7O2/c1-12-9-16-20-5-6-25(16)11-14(12)22-18-21-10-15-17(23-18)26(19(27)24(15)2)13-3-7-28-8-4-13/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM413457 (9-((1s,4s)-4-hydroxy-4-methylcyclohexyl)-7-methyl-...) Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:20.21,23.26,wD:23.25,(3.5,1.28,;3.5,2.82,;4.83,3.59,;4.83,5.13,;5.97,6.16,;5.35,7.57,;3.82,7.41,;3.5,5.9,;2.16,5.13,;2.16,3.59,;.83,2.82,;-.51,3.59,;-1.84,2.82,;-3.17,3.59,;-3.17,5.13,;-4.32,6.16,;-5.8,5.76,;-3.69,7.57,;-4.46,8.9,;-2.16,7.41,;-1.07,8.5,;-1.47,9.99,;-.38,11.07,;1.11,10.68,;1.11,12.22,;2.59,11.07,;1.51,9.19,;.42,8.1,;-1.84,5.9,;-.51,5.13,)| Show InChI InChI=1S/C20H24N8O2/c1-12-8-16-22-11-23-27(16)10-14(12)24-18-21-9-15-17(25-18)28(19(29)26(15)3)13-4-6-20(2,30)7-5-13/h8-11,13,30H,4-7H2,1-3H3,(H,21,24,25)/t13-,20+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599234 (CHEMBL5170489 | US11884671, Example 52) Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CNC[C@H]3F)c2n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM413450 (7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridi...) Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM413450 (7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridi...) Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM413450 (7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridi...) Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	PDB Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599248 (CHEMBL5179972) Show SMILES CN1C[C@@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599242 (CHEMBL5196848 | US11884671, Example 45) Show SMILES CN1CCC(CC1)n1c2nc(Nc3cc4nccnc4cc3C)ncc2n(C)c1=O Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599243 (CHEMBL5192430 | US11884671, Example 37) Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCNCC3)c2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM413450 (7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridi...) Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of AlexaFluor-labeled tracer 236 binding to human untagged DNA-PK expressed in baculovirus expression system measured after 60 mins by Lan...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599245 (CHEMBL5191577) Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCN(CCO)C3)c2n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599251 (CHEMBL5198414 | US11884671, Example 42) Show SMILES CN1CC[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599246 (CHEMBL5204870) Show SMILES COCCN1CC[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599250 (CHEMBL5178837) Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CNC[C@@H]3F)c2n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526941 (CHEMBL4459057) Show SMILES COc1ccc(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1 |r,wU:18.18,wD:15.14,(42.18,-22.41,;40.84,-21.64,;39.51,-22.42,;38.17,-21.65,;36.84,-22.42,;36.84,-23.97,;35.5,-24.73,;34.17,-23.97,;32.85,-24.73,;31.52,-23.97,;31.51,-22.42,;30.37,-21.39,;30.99,-19.99,;30.22,-18.65,;32.52,-20.15,;33.54,-19.01,;35.04,-19.33,;36.06,-18.19,;35.59,-16.73,;36.62,-15.59,;34.09,-16.41,;33.06,-17.55,;32.84,-21.65,;34.18,-22.43,;38.17,-24.74,;38.17,-26.28,;39.51,-23.97,)| Show InChI InChI=1S/C19H23N5O3/c1-11-9-14(27-2)7-8-15(11)21-18-20-10-16-17(23-18)24(19(26)22-16)12-3-5-13(25)6-4-12/h7-10,12-13,25H,3-6H2,1-2H3,(H,22,26)(H,20,21,23)/t12-,13-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427336 (CHEMBL2325992 | US10654855, Example 11 | US1123609...) Show SMILES CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526933 (CHEMBL4438672) Show SMILES COc1ccc(Nc2ncc3n(C)c(=O)n(C4CCCCC4)c3n2)c(C)c1 Show InChI InChI=1S/C20H25N5O2/c1-13-11-15(27-3)9-10-16(13)22-19-21-12-17-18(23-19)25(20(26)24(17)2)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599244 (CHEMBL5182028 | US11884671, Example 41) Show SMILES CN1CC[C@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599249 (CHEMBL5182752) Show SMILES CN1C[C@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50599236 (CHEMBL5186637 | US11884671, Example 44) Show SMILES CN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00172 BindingDB Entry DOI: 10.7270/Q2MP57BC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427361 (CHEMBL2325727 | US10654855, Example 11A | US112360...) Show SMILES CN(C)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM256836 (BDBM50427349 | US10654855, Example 15 | US11236095...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427335 (CHEMBL2325993 | US10654855, Example 25 | US1123609...) Show SMILES CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H32ClN7O/c1-31(2)13-3-4-20(17-5-7-18(25)8-6-17)30-23(33)24(26)10-14-32(15-11-24)22-19-9-12-27-21(19)28-16-29-22/h5-9,12,16,20H,3-4,10-11,13-15,26H2,1-2H3,(H,30,33)(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526931 (CHEMBL4474502) Show SMILES COc1ccc(C)c(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c1 |r,wU:21.21,wD:18.17,(65.59,-35.67,;64.26,-36.43,;64.26,-37.97,;65.61,-38.75,;65.6,-40.29,;64.26,-41.06,;64.25,-42.6,;62.93,-40.28,;61.59,-41.05,;60.26,-40.28,;58.93,-41.04,;57.6,-40.28,;57.59,-38.73,;56.44,-37.69,;54.94,-38.01,;57.07,-36.28,;56.3,-34.94,;58.6,-36.44,;59.63,-35.29,;61.13,-35.61,;62.16,-34.48,;61.69,-33.01,;62.72,-31.87,;60.18,-32.69,;59.15,-33.83,;58.93,-37.95,;60.27,-38.73,;62.93,-38.74,)| Show InChI InChI=1S/C20H25N5O3/c1-12-4-9-15(28-3)10-16(12)22-19-21-11-17-18(23-19)25(20(27)24(17)2)13-5-7-14(26)8-6-13/h4,9-11,13-14,26H,5-8H2,1-3H3,(H,21,22,23)/t13-,14-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427347 (CHEMBL2325743 | US10654855, Example 2 | US11236095...) Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H23ClN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427331 (CHEMBL2325728 | US10654855, Example 55 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427335 (CHEMBL2325993 | US10654855, Example 25 | US1123609...) Show SMILES CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H32ClN7O/c1-31(2)13-3-4-20(17-5-7-18(25)8-6-17)30-23(33)24(26)10-14-32(15-11-24)22-19-9-12-27-21(19)28-16-29-22/h5-9,12,16,20H,3-4,10-11,13-15,26H2,1-2H3,(H,30,33)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427360 (CHEMBL2325729 | US10654855, Example 52 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H34ClN7O/c27-20-6-4-19(5-7-20)22(9-15-33-13-2-1-3-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-8-12-29-23(21)30-18-31-24/h4-8,12,18,22H,1-3,9-11,13-17,28H2,(H,32,35)(H,29,30,31)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM256836 (BDBM50427349 | US10654855, Example 15 | US11236095...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427334 (CHEMBL2325994 | US10654855, Example 47 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H34ClN7O/c27-20-7-5-19(6-8-20)22(4-3-15-33-13-1-2-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-9-12-29-23(21)30-18-31-24/h5-9,12,18,22H,1-4,10-11,13-17,28H2,(H,32,35)(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427345 (CHEMBL2325983 | US10654855, Example 4 | US11236095...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C1CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClN6O/c23-16-5-3-15(4-6-16)18(14-1-2-14)28-21(30)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-13-27-20/h3-7,10,13-14,18H,1-2,8-9,11-12,24H2,(H,28,30)(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427333 (CHEMBL2325995 | US10654855, Example 48 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCOCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H34ClN7O2/c27-20-5-3-19(4-6-20)22(2-1-11-33-14-16-36-17-15-33)32-25(35)26(28)8-12-34(13-9-26)24-21-7-10-29-23(21)30-18-31-24/h3-7,10,18,22H,1-2,8-9,11-17,28H2,(H,32,35)(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427332 (CHEMBL2325996 | US10654855, Example 49 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H36ClN7O/c28-21-8-6-20(7-9-21)23(5-4-16-34-14-2-1-3-15-34)33-26(36)27(29)11-17-35(18-12-27)25-22-10-13-30-24(22)31-19-32-25/h6-10,13,19,23H,1-5,11-12,14-18,29H2,(H,33,36)(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526935 (CHEMBL4529390) Show SMILES Cc1c(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)ccc2nccn12 |r,wU:16.16,wD:13.12,(36.89,-53.69,;38.22,-54.46,;38.22,-55.99,;36.88,-56.76,;35.56,-55.99,;34.23,-56.76,;32.89,-56,;32.89,-54.45,;31.74,-53.41,;30.24,-53.73,;32.37,-52,;31.6,-50.67,;33.9,-52.16,;34.92,-51.01,;36.43,-51.33,;37.45,-50.2,;36.98,-48.73,;38.01,-47.6,;35.48,-48.41,;34.44,-49.56,;34.23,-53.67,;35.57,-54.45,;39.55,-56.77,;40.89,-56.01,;40.89,-54.46,;42.04,-53.42,;41.4,-52.01,;39.87,-52.18,;39.55,-53.69,)| Show InChI InChI=1S/C20H23N7O2/c1-12-15(7-8-17-21-9-10-26(12)17)23-19-22-11-16-18(24-19)27(20(29)25(16)2)13-3-5-14(28)6-4-13/h7-11,13-14,28H,3-6H2,1-2H3,(H,22,23,24)/t13-,14-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526937 (CHEMBL4483014) Show SMILES COc1ccc(Nc2ncc3n(C)c(=O)n(C4CCCC4)c3n2)c(C)c1 Show InChI InChI=1S/C19H23N5O2/c1-12-10-14(26-3)8-9-15(12)21-18-20-11-16-17(22-18)24(19(25)23(16)2)13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427360 (CHEMBL2325729 | US10654855, Example 52 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H34ClN7O/c27-20-6-4-19(5-7-20)22(9-15-33-13-2-1-3-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-8-12-29-23(21)30-18-31-24/h4-8,12,18,22H,1-3,9-11,13-17,28H2,(H,32,35)(H,29,30,31)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427355 (CHEMBL2325734 | US10654855, Example 65 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCS(N)(=O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26ClN7O3S/c22-15-3-1-14(2-4-15)17(6-12-33(24,31)32)28-20(30)21(23)7-10-29(11-8-21)19-16-5-9-25-18(16)26-13-27-19/h1-5,9,13,17H,6-8,10-12,23H2,(H,28,30)(H2,24,31,32)(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427351 (CHEMBL2325739 | US10654855, Example 7 | US11236095...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCO)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H27ClN6O2/c23-16-5-3-15(4-6-16)18(2-1-13-30)28-21(31)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-14-27-20/h3-7,10,14,18,30H,1-2,8-9,11-13,24H2,(H,28,31)(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526940 (CHEMBL4586576) Show SMILES Cn1c2cnc(Nc3ccc4ncnn4c3)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:22.25,wD:19.21,(3.6,-8.19,;5.1,-7.87,;6.25,-8.9,;6.25,-10.46,;7.59,-11.22,;8.91,-10.45,;10.24,-11.22,;11.58,-10.45,;12.91,-11.23,;14.25,-10.47,;14.25,-8.92,;15.39,-7.88,;14.76,-6.47,;13.23,-6.64,;12.91,-8.15,;11.58,-8.92,;8.92,-8.91,;7.58,-8.13,;7.26,-6.62,;8.28,-5.47,;9.78,-5.79,;10.81,-4.66,;10.34,-3.19,;11.37,-2.05,;8.83,-2.87,;7.8,-4.02,;5.73,-6.46,;4.96,-5.12,)| Show InChI InChI=1S/C18H20N8O2/c1-24-14-8-19-17(22-11-2-7-15-20-10-21-25(15)9-11)23-16(14)26(18(24)28)12-3-5-13(27)6-4-12/h2,7-10,12-13,27H,3-6H2,1H3,(H,19,22,23)/t12-,13-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair

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