Compile Data Set for Download or QSAR

Found 248 hits with Last Name = 'schatz' and Initial = 'c'   

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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459773 (3,3-dimethyl-2-{2-[(3R)-3-methylmorpholin-4-yl]-8-...) Show SMILES C[C@@H]1COCCN1c1cc(c2ccnc(-c3ccn[nH]3)c2n1)C(C)(O)C(C)(C)C |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt 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
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427326 (CHEMBL2325697) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459573 (US10772893, Example 82 | US11529356, Example 82) Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt 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
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577292 (CHEMBL4870563) Show SMILES Cn1nc(C2CCOCC2)c2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F Show InChI	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
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268079 (2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268057 (4-(2-fluoropyridin-3-yl)-2-[(3R)-3-methylmorpholin...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cccnc2F)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459578 (US10772893, Example 87 | US11529356, Example 87) Show SMILES C[C@@H]1COCCN1c1cc(N(C)c2ccc(F)cc2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459607 (US10772893, Example 116 | US11529356, Example 116) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(nc2C)S(C)(=N)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459609 (US10772893, Example 118 | US11529356, Example 118) Show SMILES C[C@@H]1COCCN1c1cc(-c2cnc3CCCn23)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577299 (CHEMBL4875626) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCC4)n3c2c1 |t:20| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577291 (CHEMBL4869632) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50577291 (CHEMBL4869632) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3[nH]nc(C4CCOCC4)c3c2c1 Show InChI	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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577300 (CHEMBL4860779) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1 |t:20| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50577293 (CHEMBL4868400) Show SMILES Cn1nc2cnc3ccc(cc3c2c1C1CCOCC1)-c1cncc(c1)C(F)F Show InChI	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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268075 (2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl...) Show SMILES C[C@@H]1COCCN1c1cc(C2CCOCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459776 (US10772893, Example 286 | US11529356, Example 286) Show SMILES C[C@@H]1COCCN1c1cc(c2ccnc(-c3ccn[nH]3)c2n1)C1(CC1)S(C)(=O)=O |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577294 (CHEMBL4852502) Show SMILES Cc1nc(C2CCOCC2)n2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459617 (US10772893, Example 126 | US11529356, Example 126) Show SMILES CCS(=O)(CC)=Nc1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50577292 (CHEMBL4870563) Show SMILES Cn1nc(C2CCOCC2)c2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F Show InChI	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	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50539897 (CHEMBL4635106) Show SMILES C[C@@H]1COCCN1c1cc(C#Cc2cccnc2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI InChI=1S/C23H20N6O/c1-16-15-30-12-11-29(16)21-13-18(5-4-17-3-2-8-24-14-17)19-6-9-25-23(22(19)27-21)20-7-10-26-28-20/h2-3,6-10,13-14,16H,11-12,15H2,1H3,(H,26,28)/t16-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50539898 (CHEMBL4649777) Show SMILES C[C@@H]1COCCN1c1cc(-n2ccnc2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI InChI=1S/C20H21N7O/c1-13-12-28-10-9-26(13)18-11-17(27-8-7-21-14(27)2)15-3-5-22-20(19(15)24-18)16-4-6-23-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)/t13-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt 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
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577293 (CHEMBL4868400) Show SMILES Cn1nc2cnc3ccc(cc3c2c1C1CCOCC1)-c1cncc(c1)C(F)F Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459634 (US10772893, Example 143 | US11529356, Example 143) Show SMILES CCP(=O)(CC)c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459617 (US10772893, Example 126 | US11529356, Example 126) Show SMILES CCS(=O)(CC)=Nc1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577302 (CHEMBL4860129) Show SMILES CO[C@H]1CC[C@@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,wD:2.1,(43.27,-45.09,;42.81,-46.55,;43.84,-47.68,;43.38,-49.15,;44.41,-50.29,;45.91,-49.96,;46.38,-48.49,;45.35,-47.35,;46.95,-51.09,;48.48,-50.92,;49.11,-52.31,;47.98,-53.34,;48,-54.9,;46.66,-55.68,;45.32,-54.91,;43.99,-55.69,;42.65,-54.91,;42.66,-53.37,;43.99,-52.6,;45.32,-53.36,;46.65,-52.59,;41.32,-52.6,;40,-53.37,;38.67,-52.61,;38.66,-51.06,;39.99,-50.29,;41.33,-51.06,;39.99,-48.76,;41.32,-47.99,;38.66,-47.99,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank 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
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459773 (3,3-dimethyl-2-{2-[(3R)-3-methylmorpholin-4-yl]-8-...) Show SMILES C[C@@H]1COCCN1c1cc(c2ccnc(-c3ccn[nH]3)c2n1)C(C)(O)C(C)(C)C |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577295 (CHEMBL4873263) Show SMILES [H][C@@]12COC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268079 (2-[(3R)-3-methylmorpholin-4-yl]-4-(1-methyl-1H-pyr...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50577300 (CHEMBL4860779) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1 |t:20| Show InChI	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	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50539868 (CHEMBL4636667) Show SMILES CC(C)Oc1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C19H23N5O2/c1-12(2)26-16-10-17(24-8-9-25-11-13(24)3)22-18-14(16)4-6-20-19(18)15-5-7-21-23-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,21,23)/t13-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577301 (CHEMBL4850640) Show SMILES CO[C@H]1CC[C@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,2.1,(26.22,-45.52,;25.75,-46.98,;26.79,-48.11,;28.29,-47.78,;29.33,-48.92,;28.86,-50.39,;27.36,-50.72,;26.32,-49.58,;29.9,-51.52,;31.42,-51.35,;32.06,-52.74,;30.93,-53.78,;30.94,-55.33,;29.61,-56.11,;28.27,-55.34,;26.93,-56.12,;25.6,-55.34,;25.6,-53.8,;26.93,-53.03,;28.27,-53.79,;29.6,-53.02,;24.27,-53.03,;22.94,-53.8,;21.61,-53.04,;21.61,-51.49,;22.94,-50.72,;24.27,-51.49,;22.94,-49.19,;24.26,-48.42,;21.61,-48.42,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577298 (CHEMBL4871998) Show SMILES [H][C@@]12CCC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577296 (CHEMBL4849035) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCOCC4)n3c2c1 |t:20| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50577294 (CHEMBL4852502) Show SMILES Cc1nc(C2CCOCC2)n2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F Show InChI	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	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577298 (CHEMBL4871998) Show SMILES [H][C@@]12CCC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268057 (4-(2-fluoropyridin-3-yl)-2-[(3R)-3-methylmorpholin...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cccnc2F)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50577274 (CHEMBL4876439) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full-length N-terminal FLAG-tagged human ATM expressed in HEK293-6E cells using biotin-PEG2-SVEPPLSQETFSD as substrate preincubated for...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577296 (CHEMBL4849035) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCOCC4)n3c2c1 |t:20| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577301 (CHEMBL4850640) Show SMILES CO[C@H]1CC[C@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,2.1,(26.22,-45.52,;25.75,-46.98,;26.79,-48.11,;28.29,-47.78,;29.33,-48.92,;28.86,-50.39,;27.36,-50.72,;26.32,-49.58,;29.9,-51.52,;31.42,-51.35,;32.06,-52.74,;30.93,-53.78,;30.94,-55.33,;29.61,-56.11,;28.27,-55.34,;26.93,-56.12,;25.6,-55.34,;25.6,-53.8,;26.93,-53.03,;28.27,-53.79,;29.6,-53.02,;24.27,-53.03,;22.94,-53.8,;21.61,-53.04,;21.61,-51.49,;22.94,-50.72,;24.27,-51.49,;22.94,-49.19,;24.26,-48.42,;21.61,-48.42,)| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50539899 (CHEMBL4640028) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O3S/c1-31(28,29)16-4-2-15(3-5-16)18-14-20(27-10-12-30-13-11-27)25-21-17(18)6-8-23-22(21)19-7-9-24-26-19/h2-9,14H,10-13H2,1H3,(H,24,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459573 (US10772893, Example 82 | US11529356, Example 82) Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577300 (CHEMBL4860779) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1 |t:20| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50577298 (CHEMBL4871998) Show SMILES [H][C@@]12CCC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r| Show InChI	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	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268075 (2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl...) Show SMILES C[C@@H]1COCCN1c1cc(C2CCOCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50577299 (CHEMBL4875626) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCC4)n3c2c1 |t:20| Show InChI	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	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PI3Kbeta (unknown origin) using PI(4,5)P2 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577297 (CHEMBL4851439) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1 |t:20| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK in human HT-144 cells assessed as reduction in gammaH2AX phosphorylation incubated for 30 mins by fluorescence assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459578 (US10772893, Example 87 | US11529356, Example 87) Show SMILES C[C@@H]1COCCN1c1cc(N(C)c2ccc(F)cc2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577279 (CHEMBL4857669) Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50539898 (CHEMBL4649777) Show SMILES C[C@@H]1COCCN1c1cc(-n2ccnc2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI InChI=1S/C20H21N7O/c1-13-12-28-10-9-26(13)18-11-17(27-8-7-21-14(27)2)15-3-5-22-20(19(15)24-18)16-4-6-23-25-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)/t13-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577297 (CHEMBL4851439) Show SMILES FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1 |t:20| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair

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