Compile Data Set for Download or QSAR

Found 301 hits with Last Name = 'hummersone' and Initial = 'mg'   

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))	BDBM12915 (2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...) Show SMILES O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Competitive inhibition of DNA-PK (unknown origin) in the presence of ATP				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50319926 (2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...) Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of PI-3K delta (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50348452 (AZD-8055 | CHEMBL1801204 | US9102670, 1a) Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant FLAG-tagged mTOR (1362 to 2549) (unknown origin) expressed in HEK293 cells				Bioorg Med Chem Lett 23: 1212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.019 BindingDB Entry DOI: 10.7270/Q2N29Z97
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50319926 (2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...) Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of PI-3K beta (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439892 (CHEMBL2420289) Show SMILES O=c1cc(oc2c(cccc12)-c1ccc(OCCNc2cccnc2)c2c3ccccc3sc12)N1CCOCC1 Show InChI InChI=1S/C32H27N3O4S/c36-26-19-29(35-14-17-37-18-15-35)39-31-22(7-3-8-24(26)31)23-10-11-27(38-16-13-34-21-5-4-12-33-20-21)30-25-6-1-2-9-28(25)40-32(23)30/h1-12,19-20,34H,13-18H2	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439893 (CHEMBL2420254) Show SMILES COC(=O)[C@H](CO)NCCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 |r| Show InChI InChI=1S/C31H30N2O7S/c1-37-31(36)23(18-34)32-11-14-39-25-10-9-20(30-28(25)22-5-2-3-8-26(22)41-30)19-6-4-7-21-24(35)17-27(40-29(19)21)33-12-15-38-16-13-33/h2-10,17,23,32,34H,11-16,18H2,1H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439946 (CHEMBL2420287) Show SMILES CC(=O)N1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H33N3O5S/c1-22(37)35-13-11-34(12-14-35)15-20-40-28-10-9-24(33-31(28)26-5-2-3-8-29(26)42-33)23-6-4-7-25-27(38)21-30(41-32(23)25)36-16-18-39-19-17-36/h2-10,21H,11-20H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50310989 ((5-(2-((2R,6S)-2,6-dimethylmorpholino)-4-morpholin...) Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 |r| Show InChI InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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 recombinant FLAG-tagged mTOR (1362 to 2549) (unknown origin) expressed in HEK293 cells				Bioorg Med Chem Lett 23: 1212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.019 BindingDB Entry DOI: 10.7270/Q2N29Z97
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50429701 (AZD-2014 | CHEMBL2336325 | US9102670, 1ap) Show SMILES CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant FLAG-tagged mTOR (1362 to 2549) (unknown origin) expressed in HEK293 cells				Bioorg Med Chem Lett 23: 1212-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.019 BindingDB Entry DOI: 10.7270/Q2N29Z97
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439880 (CHEMBL2420253) Show SMILES CC(C)N1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C34H37N3O4S/c1-23(2)36-14-12-35(13-15-36)16-21-40-29-11-10-25(34-32(29)27-6-3-4-9-30(27)42-34)24-7-5-8-26-28(38)22-31(41-33(24)26)37-17-19-39-20-18-37/h3-11,22-23H,12-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439957 (CHEMBL2420255) Show SMILES CN(CCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12)CC(N)=O Show InChI InChI=1S/C30H29N3O5S/c1-32(18-26(31)35)11-16-37-24-10-9-20(30-28(24)22-5-2-3-8-25(22)39-30)19-6-4-7-21-23(34)17-27(38-29(19)21)33-12-14-36-15-13-33/h2-10,17H,11-16,18H2,1H3,(H2,31,35)	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439870 (CHEMBL2420439) Show SMILES C[C@H]1CN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)C[C@@H](C)O1 |r| Show InChI InChI=1S/C33H33N3O5S/c1-20-17-35(18-21(2)40-20)19-29(38)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(37)16-30(41-32(22)24)36-12-14-39-15-13-36/h3-11,16,20-21H,12-15,17-19H2,1-2H3,(H,34,38)/t20-,21+	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50319926 (2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...) Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of PI-3K alpha (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50319926 (2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...) Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439863 (CHEMBL2420285) Show SMILES CN(C)CCN(C)CCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C32H35N3O4S/c1-33(2)13-14-34(3)15-20-38-27-12-11-23(32-30(27)25-7-4-5-10-28(25)40-32)22-8-6-9-24-26(36)21-29(39-31(22)24)35-16-18-37-19-17-35/h4-12,21H,13-20H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439947 (CHEMBL2420310) Show SMILES OCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H34N4O5S/c38-17-14-35-10-12-36(13-11-35)21-29(40)34-26-9-8-23(33-31(26)25-4-1-2-7-28(25)43-33)22-5-3-6-24-27(39)20-30(42-32(22)24)37-15-18-41-19-16-37/h1-9,20,38H,10-19,21H2,(H,34,40)	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439862 (CHEMBL2420444) Show SMILES CC(=O)N1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H32N4O5S/c1-21(38)36-13-11-35(12-14-36)20-29(40)34-26-10-9-23(33-31(26)25-5-2-3-8-28(25)43-33)22-6-4-7-24-27(39)19-30(42-32(22)24)37-15-17-41-18-16-37/h2-10,19H,11-18,20H2,1H3,(H,34,40)	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439941 (CHEMBL2420445) Show SMILES COCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C34H36N4O5S/c1-41-18-15-36-11-13-37(14-12-36)22-30(40)35-27-10-9-24(34-32(27)26-5-2-3-8-29(26)44-34)23-6-4-7-25-28(39)21-31(43-33(23)25)38-16-19-42-20-17-38/h2-10,21H,11-20,22H2,1H3,(H,35,40)	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439935 (CHEMBL2420264) Show SMILES COC(=O)[C@H](CO)NC(=O)COc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 |r| Show InChI InChI=1S/C31H28N2O8S/c1-38-31(37)22(16-34)32-26(36)17-40-24-10-9-19(30-28(24)21-5-2-3-8-25(21)42-30)18-6-4-7-20-23(35)15-27(41-29(18)20)33-11-13-39-14-12-33/h2-10,15,22,34H,11-14,16-17H2,1H3,(H,32,36)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439940 (CHEMBL2420307) Show SMILES CC(C)NCC(=O)CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C37H41N5O5S/c1-24(2)38-21-25(43)22-40-12-14-41(15-13-40)23-33(45)39-30-11-10-27(37-35(30)29-6-3-4-9-32(29)48-37)26-7-5-8-28-31(44)20-34(47-36(26)28)42-16-18-46-19-17-42/h3-11,20,24,38H,12-19,21-23H2,1-2H3,(H,39,45)	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439937 (CHEMBL2420426) Show SMILES OCCN(CCO)CC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C31H31N3O6S/c35-14-10-33(11-15-36)19-27(38)32-24-9-8-21(31-29(24)23-4-1-2-7-26(23)41-31)20-5-3-6-22-25(37)18-28(40-30(20)22)34-12-16-39-17-13-34/h1-9,18,35-36H,10-17,19H2,(H,32,38)	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439938 (CHEMBL2420295) Show SMILES O=C(CCNCCN1CCOCC1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C34H36N4O5S/c39-28-22-31(38-16-20-42-21-17-38)43-33-23(5-3-6-25(28)33)24-8-9-27(32-26-4-1-2-7-29(26)44-34(24)32)36-30(40)10-11-35-12-13-37-14-18-41-19-15-37/h1-9,22,35H,10-21H2,(H,36,40)	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439936 (CHEMBL2420446) Show SMILES OCCOCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C35H38N4O6S/c40-17-21-44-18-14-37-10-12-38(13-11-37)23-31(42)36-28-9-8-25(35-33(28)27-4-1-2-7-30(27)46-35)24-5-3-6-26-29(41)22-32(45-34(24)26)39-15-19-43-20-16-39/h1-9,22,40H,10-21,23H2,(H,36,42)	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439939 (CHEMBL2420301) Show SMILES O=C(CCNCCN1CCNC1=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C33H33N5O5S/c39-26-20-29(37-16-18-42-19-17-37)43-31-21(5-3-6-23(26)31)22-8-9-25(30-24-4-1-2-7-27(24)44-32(22)30)36-28(40)10-11-34-12-14-38-15-13-35-33(38)41/h1-9,20,34H,10-19H2,(H,35,41)(H,36,40)	PDB KEGG UniProtKB/SwissProt DrugBank 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
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439927 (CHEMBL2420284) Show SMILES O=c1cc(oc2c(cccc12)-c1ccc(OCCNCCN2CCOCC2)c2c3ccccc3sc12)N1CCOCC1 Show InChI InChI=1S/C33H35N3O5S/c37-27-22-30(36-15-20-39-21-16-36)41-32-23(5-3-6-25(27)32)24-8-9-28(31-26-4-1-2-7-29(26)42-33(24)31)40-17-11-34-10-12-35-13-18-38-19-14-35/h1-9,22,34H,10-21H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439932 (CHEMBL2420296) Show SMILES O=C(CCNCC1CCCO1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C33H33N3O5S/c37-27-19-30(36-14-17-39-18-15-36)41-32-22(7-3-8-24(27)32)23-10-11-26(31-25-6-1-2-9-28(25)42-33(23)31)35-29(38)12-13-34-20-21-5-4-16-40-21/h1-3,6-11,19,21,34H,4-5,12-18,20H2,(H,35,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439928 (CHEMBL2420305) Show SMILES O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C36H33N5O4S/c42-29-22-33(41-18-20-44-21-19-41)45-35-24(7-5-8-26(29)35)25-11-12-28(34-27-6-1-2-9-30(27)46-36(25)34)38-32(43)23-39-14-16-40(17-15-39)31-10-3-4-13-37-31/h1-13,22H,14-21,23H2,(H,38,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439930 (CHEMBL2420441) Show SMILES O=C(CNCCN1CCNC1=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C32H31N5O5S/c38-25-18-28(36-14-16-41-17-15-36)42-30-20(5-3-6-22(25)30)21-8-9-24(29-23-4-1-2-7-26(23)43-31(21)29)35-27(39)19-33-10-12-37-13-11-34-32(37)40/h1-9,18,33H,10-17,19H2,(H,34,40)(H,35,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439931 (CHEMBL2420281) Show SMILES CN1CCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C32H33N3O4S/c1-33-11-13-34(14-12-33)15-20-38-27-10-9-23(32-30(27)25-5-2-3-8-28(25)40-32)22-6-4-7-24-26(36)21-29(39-31(22)24)35-16-18-37-19-17-35/h2-10,21H,11-20H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439929 (CHEMBL2420443) Show SMILES COCCNCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C30H29N3O5S/c1-36-14-11-31-18-26(35)32-23-10-9-20(30-28(23)22-5-2-3-8-25(22)39-30)19-6-4-7-21-24(34)17-27(38-29(19)21)33-12-15-37-16-13-33/h2-10,17,31H,11-16,18H2,1H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439923 (CHEMBL2420303) Show SMILES COCCNCCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C31H31N3O5S/c1-37-16-13-32-12-11-27(36)33-24-10-9-21(31-29(24)23-5-2-3-8-26(23)40-31)20-6-4-7-22-25(35)19-28(39-30(20)22)34-14-17-38-18-15-34/h2-10,19,32H,11-18H2,1H3,(H,33,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439924 (CHEMBL2420294) Show SMILES NCCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C28H25N3O4S/c29-11-10-24(33)30-21-9-8-18(28-26(21)20-4-1-2-7-23(20)36-28)17-5-3-6-19-22(32)16-25(35-27(17)19)31-12-14-34-15-13-31/h1-9,16H,10-15,29H2,(H,30,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439922 (CHEMBL2420288) Show SMILES CN(C)CCOc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C29H28N2O4S/c1-30(2)12-17-34-24-11-10-20(29-27(24)22-6-3-4-9-25(22)36-29)19-7-5-8-21-23(32)18-26(35-28(19)21)31-13-15-33-16-14-31/h3-11,18H,12-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439920 (CHEMBL2420440) Show SMILES CCN(CC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12)Cc1ccncc1 Show InChI InChI=1S/C35H32N4O4S/c1-2-38(21-23-12-14-36-15-13-23)22-31(41)37-28-11-10-25(35-33(28)27-6-3-4-9-30(27)44-35)24-7-5-8-26-29(40)20-32(43-34(24)26)39-16-18-42-19-17-39/h3-15,20H,2,16-19,21-22H2,1H3,(H,37,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439925 (CHEMBL2420314) Show SMILES O=C(CNCc1ccncc1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C33H28N4O4S/c38-27-18-30(37-14-16-40-17-15-37)41-32-22(5-3-6-24(27)32)23-8-9-26(31-25-4-1-2-7-28(25)42-33(23)31)36-29(39)20-35-19-21-10-12-34-13-11-21/h1-13,18,35H,14-17,19-20H2,(H,36,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439919 (CHEMBL2420279) Show SMILES O=c1cc(oc2c(cccc12)-c1ccc(OCCN2CCOCC2)c2c3ccccc3sc12)N1CCOCC1 Show InChI InChI=1S/C31H30N2O5S/c34-25-20-28(33-13-17-36-18-14-33)38-30-21(5-3-6-23(25)30)22-8-9-26(37-19-12-32-10-15-35-16-11-32)29-24-4-1-2-7-27(24)39-31(22)29/h1-9,20H,10-19H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439921 (CHEMBL2420428) Show SMILES OCCNCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C29H27N3O5S/c33-13-10-30-17-25(35)31-22-9-8-19(29-27(22)21-4-1-2-7-24(21)38-29)18-5-3-6-20-23(34)16-26(37-28(18)20)32-11-14-36-15-12-32/h1-9,16,30,33H,10-15,17H2,(H,31,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439917 (CHEMBL2420292) Show SMILES COc1ccc(CNCCC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)cc1 Show InChI InChI=1S/C36H33N3O5S/c1-42-24-11-9-23(10-12-24)22-37-16-15-32(41)38-29-14-13-26(36-34(29)28-5-2-3-8-31(28)45-36)25-6-4-7-27-30(40)21-33(44-35(25)27)39-17-19-43-20-18-39/h2-14,21,37H,15-20,22H2,1H3,(H,38,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439915 (CHEMBL2420315) Show SMILES CC(C)N1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C34H36N4O4S/c1-22(2)37-14-12-36(13-15-37)21-30(40)35-27-11-10-24(34-32(27)26-6-3-4-9-29(26)43-34)23-7-5-8-25-28(39)20-31(42-33(23)25)38-16-18-41-19-17-38/h3-11,20,22H,12-19,21H2,1-2H3,(H,35,40)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439914 (CHEMBL2420299) Show SMILES C[C@H]1CN(CCC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)C[C@@H](C)O1 |r| Show InChI InChI=1S/C34H35N3O5S/c1-21-19-36(20-22(2)41-21)13-12-30(39)35-27-11-10-24(34-32(27)26-6-3-4-9-29(26)43-34)23-7-5-8-25-28(38)18-31(42-33(23)25)37-14-16-40-17-15-37/h3-11,18,21-22H,12-17,19-20H2,1-2H3,(H,35,39)/t21-,22+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439916 (CHEMBL2420276) Show SMILES O=C(CCNCCCN1CCOCC1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C35H38N4O5S/c40-29-23-32(39-17-21-43-22-18-39)44-34-24(6-3-7-26(29)34)25-9-10-28(33-27-5-1-2-8-30(27)45-35(25)33)37-31(41)11-13-36-12-4-14-38-15-19-42-20-16-38/h1-3,5-10,23,36H,4,11-22H2,(H,37,41)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439950 (CHEMBL2420308) Show SMILES CN(C)CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C35H39N5O4S/c1-37(2)12-13-38-14-16-39(17-15-38)23-31(42)36-28-11-10-25(35-33(28)27-6-3-4-9-30(27)45-35)24-7-5-8-26-29(41)22-32(44-34(24)26)40-18-20-43-21-19-40/h3-11,22H,12-21,23H2,1-2H3,(H,36,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439913 (CHEMBL2420262) Show SMILES O=C(COc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12)NCc1ccncc1 Show InChI InChI=1S/C33H27N3O5S/c37-26-18-30(36-14-16-39-17-15-36)41-32-22(5-3-6-24(26)32)23-8-9-27(31-25-4-1-2-7-28(25)42-33(23)31)40-20-29(38)35-19-21-10-12-34-13-11-21/h1-13,18H,14-17,19-20H2,(H,35,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439911 (CHEMBL2420272) Show SMILES CN(C)CCN1CCN(CCC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C36H41N5O4S/c1-38(2)14-15-40-18-16-39(17-19-40)13-12-32(43)37-29-11-10-26(36-34(29)28-6-3-4-9-31(28)46-36)25-7-5-8-27-30(42)24-33(45-35(25)27)41-20-22-44-23-21-41/h3-11,24H,12-23H2,1-2H3,(H,37,43)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439956 (CHEMBL2420282) Show SMILES CN1CCCN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H35N3O4S/c1-34-12-5-13-35(15-14-34)16-21-39-28-11-10-24(33-31(28)26-6-2-3-9-29(26)41-33)23-7-4-8-25-27(37)22-30(40-32(23)25)36-17-19-38-20-18-36/h2-4,6-11,22H,5,12-21H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439912 (CHEMBL2420286) Show SMILES C[C@H]1CN(CCOc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)C[C@@H](C)O1 |r| Show InChI InChI=1S/C33H34N2O5S/c1-21-19-34(20-22(2)39-21)12-17-38-28-11-10-24(33-31(28)26-6-3-4-9-29(26)41-33)23-7-5-8-25-27(36)18-30(40-32(23)25)35-13-15-37-16-14-35/h3-11,18,21-22H,12-17,19-20H2,1-2H3/t21-,22+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439949 (CHEMBL2420321) Show SMILES OCCNCCC(=O)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C30H29N3O5S/c34-15-12-31-11-10-26(36)32-23-9-8-20(30-28(23)22-4-1-2-7-25(22)39-30)19-5-3-6-21-24(35)18-27(38-29(19)21)33-13-16-37-17-14-33/h1-9,18,31,34H,10-17H2,(H,32,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439910 (CHEMBL2420265) Show SMILES CN(CC(N)=O)C(=O)COc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C30H27N3O6S/c1-32(16-25(31)35)26(36)17-38-23-10-9-19(30-28(23)21-5-2-3-8-24(21)40-30)18-6-4-7-20-22(34)15-27(39-29(18)20)33-11-13-37-14-12-33/h2-10,15H,11-14,16-17H2,1H3,(H2,31,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439955 (CHEMBL2420323) Show SMILES O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C31H29N3O5S/c35-25-18-28(34-12-16-38-17-13-34)39-30-20(5-3-6-22(25)30)21-8-9-24(32-27(36)19-33-10-14-37-15-11-33)29-23-4-1-2-7-26(23)40-31(21)29/h1-9,18H,10-17,19H2,(H,32,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439909 (CHEMBL2420291) Show SMILES O=C(CCN1CCCCCC1)Nc1ccc(-c2cccc3c2oc(cc3=O)N2CCOCC2)c2sc3ccccc3c12 Show InChI InChI=1S/C34H35N3O4S/c38-28-22-31(37-18-20-40-21-19-37)41-33-23(9-7-10-25(28)33)24-12-13-27(32-26-8-3-4-11-29(26)42-34(24)32)35-30(39)14-17-36-15-5-1-2-6-16-36/h3-4,7-13,22H,1-2,5-6,14-21H2,(H,35,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
					More data for this Ligand-Target Pair

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