Compile Data Set for Download or QSAR

Found 5545 hits Enz. Inhib. hit(s) with Target = 'Ataxia telangiectasia and Rad3-related protein (ATR)'   

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))	BDBM50043407 (CHEMBL3355476) Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1c(F)ncc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs				ACS Med Chem Lett 6: 42-6 (2015) Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043409 (CHEMBL3355474) Show SMILES C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs				ACS Med Chem Lett 6: 42-6 (2015) Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043385 (CHEMBL3355072) Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(C)(=O)=O |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043387 (CHEMBL3355074) Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043408 (CHEMBL3355475) Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1cncc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs				ACS Med Chem Lett 6: 42-6 (2015) Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043382 (CHEMBL3355069) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H18N6O2S/c1-26(2)30(28,29)15-5-3-14(4-6-15)19-13-24-20-8-7-18(25-27(19)20)16-9-11-22-21-17(16)10-12-23-21/h3-13H,1-2H3,(H,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043411 (CHEMBL3355480) Show SMILES C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1nncc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs				ACS Med Chem Lett 6: 42-6 (2015) Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043384 (CHEMBL3355071) Show SMILES C[C@@H]1Cn2ncc(c2CN1c1ccnc2[nH]ccc12)-c1ccc(cc1)S(=O)(=O)N(C)C |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043383 (CHEMBL3355070) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468005 (CHEMBL4288033) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2ccccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H24N6O3S/c1-13-12-29-10-9-25(13)17-11-16(20(7-8-20)30(2,27)28)23-19(24-17)26-15-6-4-3-5-14(15)22-18(26)21/h3-6,11,13H,7-10,12H2,1-2H3,(H2,21,22)/t13-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043410 (CHEMBL3355473) Show SMILES C[C@@H]1COCCN1c1nc(cc2n(CS(C)(=O)=O)cnc12)-c1cccc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs				ACS Med Chem Lett 6: 42-6 (2015) Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043386 (CHEMBL3355073) Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616182 (US20230271968, Compound A22) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cccnc2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616171 (US20230271968, Compound A12) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(Cl)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043389 (CHEMBL3352844) Show SMILES C[C@@H]1Cn2ncc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]cnc12 |r| Show InChI	PDB Reactome pathway 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
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468002 (CHEMBL4291436) Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C21H26N6O3S/c1-14-13-30-11-10-26(14)18-12-17(21(8-9-21)31(3,28)29)24-20(25-18)27-16-7-5-4-6-15(16)23-19(27)22-2/h4-7,12,14H,8-11,13H2,1-3H3,(H,22,23)/t14-/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468003 (CHEMBL4281240) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23N5O3S/c1-13-12-28-8-7-25(13)18-9-17(20(4-5-20)29(2,26)27)23-19(24-18)15-10-21-11-16-14(15)3-6-22-16/h3,6,9-11,13,22H,4-5,7-8,12H2,1-2H3/t13-/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616172 (US20230271968, Compound A13) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2ccnnc2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616184 (US20230271968, Compound A24) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2ccncc2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					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	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))	BDBM50468009 (CHEMBL4286105) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cc(F)ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23FN6O3S/c1-12-11-30-8-7-26(12)17-10-16(20(5-6-20)31(2,28)29)24-19(25-17)27-15-4-3-13(21)9-14(15)23-18(27)22/h3-4,9-10,12H,5-8,11H2,1-2H3,(H2,22,23)/t12-/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616166 (US20230271968, Compound A9) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(F)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM103469 (US8552004, 2.07) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2ccccc12)C1(CC1)[S@](C)(=N)=O |r| Show InChI InChI=1S/C20H25N7O2S/c1-13-12-29-10-9-26(13)17-11-16(20(7-8-20)30(2,22)28)24-19(25-17)27-15-6-4-3-5-14(15)23-18(27)21/h3-6,11,13H,2,7-10,12H2,1H3,(H2,21,23)(H2,22,28)/t13-,30?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.58	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...				US Patent US8552004 (2013) BindingDB Entry DOI: 10.7270/Q20P0XN6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM103481 (US8552004, 2.08) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2ccccc12)C1(CC1)[S@@](C)(=N)=O |r| Show InChI InChI=1S/C20H25N7O2S/c1-13-12-29-10-9-26(13)17-11-16(20(7-8-20)30(2,22)28)24-19(25-17)27-15-6-4-3-5-14(15)23-18(27)21/h3-6,11,13,22H,7-10,12H2,1-2H3,(H2,21,23)/t13-,30+/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.76	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...				US Patent US8552004 (2013) BindingDB Entry DOI: 10.7270/Q20P0XN6
					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))	BDBM50427322 (CHEMBL2325703) Show SMILES CC(C)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O Show InChI InChI=1S/C20H24N4O3S/c1-20(2,28(3,25)26)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-5-4-6-16-14(15)7-8-21-16/h4-8,13,21H,9-12H2,1-3H3	PDB Reactome pathway 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 ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468017 (CHEMBL4291783) Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-n1c(N)nc2ccccc12)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-29(26,27)19(6-7-19)15-12-16(24-8-10-28-11-9-24)23-18(22-15)25-14-5-3-2-4-13(14)21-17(25)20/h2-5,12H,6-11H2,1H3,(H2,20,21)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616177 (US20230271968, Compound A17) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(c2)C(N)=O)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;-.72,-4.78,;-1.62,-6.02,;-1.35,-3.37,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616167 (US20230271968, Compound A10) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(c2)C(F)F)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;1.72,-3.69,;-.72,-4.78,;-1.62,-6.02,;-1.35,-3.37,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616173 (US20230271968, Compound A14) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2ccc(=O)[nH]c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.53,-7.59,;.81,-4.94,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM60432 (BDBM50468001 | US11236089, Compound AZD-6738 | US8...) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O |r| Show InChI InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.75	n/a	n/a	n/a	n/a	7.4	37
AstraZeneca AB US Patent					Assay Description ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyc...				US Patent US8552004 (2013) BindingDB Entry DOI: 10.7270/Q20P0XN6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427320 (CHEMBL2325705) Show SMILES CS(=O)(=O)C1(CCOCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H26N4O4S/c1-31(27,28)22(6-11-29-12-7-22)19-15-20(26-9-13-30-14-10-26)25-21(24-19)17-3-2-4-18-16(17)5-8-23-18/h2-5,8,15,23H,6-7,9-14H2,1H3	PDB Reactome pathway 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 ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616179 (US20230271968, Compound A19) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(O)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM60432 (BDBM50468001 | US11236089, Compound AZD-6738 | US8...) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O |r| Show InChI InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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 ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM616183 (US20230271968, Compound A23) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)nn(c2C)-c2cncc(C)c2)n2ncc(-c3ccn[nH]3)c2n1 |wD:1.0,(6.26,6.69,;7.59,5.92,;8.92,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;4.92,-.24,;6.17,-1.14,;7.63,-.67,;5.69,-2.61,;4.15,-2.61,;3.68,-1.14,;2.21,-.67,;3.25,-3.85,;3.88,-5.26,;2.97,-6.51,;1.44,-6.34,;.81,-4.94,;-.72,-4.78,;1.72,-3.69,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;.18,6.03,;.18,7.57,;1.65,8.04,;2.55,6.8,;3.59,3.61,;4.92,4.38,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2SQ94HS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268208 (US10772893, Example 241 | US11529356, Example 241 ...) Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.06	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268080 (2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2-ox...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(C)no2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C25H28N6O3/c1-16-13-21(34-29-16)19-14-22(30-10-12-32-15-17(30)2)28-24-18(19)6-8-26-25(24)20-7-9-27-31(20)23-5-3-4-11-33-23/h6-9,13-14,17,23H,3-5,10-12,15H2,1-2H3/t17-,23?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.74	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268050 (2-[(3R)-3-methylmorpholin-4-yl]-4-[4-(methylsulfon...) Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C26H35N7O4S/c1-19-18-36-16-14-32(19)23-17-22(30-10-12-31(13-11-30)38(2,34)35)20-6-8-27-26(25(20)29-23)21-7-9-28-33(21)24-5-3-4-15-37-24/h6-9,17,19,24H,3-5,10-16,18H2,1-2H3/t19-,24?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427314 (CHEMBL2325711) Show SMILES O=S(=O)(c1ccccc1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C25H24N4O3S/c30-33(31,18-5-2-1-3-6-18)25(10-11-25)22-17-23(29-13-15-32-16-14-29)28-24(27-22)20-7-4-8-21-19(20)9-12-26-21/h1-9,12,17,26H,10-11,13-16H2	PDB Reactome pathway 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 ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50043403 (CHEMBL3355472) Show SMILES CS(=O)(=O)Cn1cnc2c(nc(cc12)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H21N5O3S/c1-29(26,27)13-25-12-22-19-18(25)11-17(23-20(19)24-7-9-28-10-8-24)14-3-2-4-16-15(14)5-6-21-16/h2-6,11-12,21H,7-10,13H2,1H3	PDB Reactome pathway 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
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human ATR using ATP substrate measured after 3 hrs				ACS Med Chem Lett 6: 42-6 (2015) Article DOI: 10.1021/ml500352s BindingDB Entry DOI: 10.7270/Q2XG9SRM
					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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ...				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468004 (CHEMBL4286472) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23N5O3S/c1-13-12-28-10-9-25(13)17-11-16(20(5-6-20)29(2,26)27)23-19(24-17)15-4-8-22-18-14(15)3-7-21-18/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,22)/t13-/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468021 (CHEMBL4278556) Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cncc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C19H21N5O3S/c1-28(25,26)19(3-4-19)16-10-17(24-6-8-27-9-7-24)23-18(22-16)14-11-20-12-15-13(14)2-5-21-15/h2,5,10-12,21H,3-4,6-9H2,1H3	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268038 (4-(1-methyl-1H-imidazol-5-yl)-2-[(3R)-3-methylmorp...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C25H29N7O2/c1-17-15-33-12-10-31(17)22-13-19(21-14-26-16-30(21)2)18-6-8-27-25(24(18)29-22)20-7-9-28-32(20)23-5-3-4-11-34-23/h6-9,13-14,16-17,23H,3-5,10-12,15H2,1-2H3/t17-,23?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.17	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268037 (4-(1-ethyl-1H-pyrazol-5-yl)-2-[(3R)-3-methylmorpho...) Show SMILES CCn1nccc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C26H31N7O2/c1-3-32-21(8-11-28-32)20-16-23(31-13-15-34-17-18(31)2)30-25-19(20)7-10-27-26(25)22-9-12-29-33(22)24-6-4-5-14-35-24/h7-12,16,18,24H,3-6,13-15,17H2,1-2H3/t18-,24?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.34	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268051 (N-(2,2-dimethylpropyl)-N-methyl-2-[(3R)-3-methylmo...) Show SMILES C[C@@H]1COCCN1c1cc(N(C)CC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C27H38N6O2/c1-19-17-34-15-13-32(19)23-16-22(31(5)18-27(2,3)4)20-9-11-28-26(25(20)30-23)21-10-12-29-33(21)24-8-6-7-14-35-24/h9-12,16,19,24H,6-8,13-15,17-18H2,1-5H3/t19-,24?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.38	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM103467 (US8552004, 2.03) Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C21H27N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(8-9-21)31(3,22)29)25-20(26-18)28-16-7-5-4-6-15(16)24-19(28)23-2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H2,22,29)(H,23,24)/t14-,31?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.61	n/a	n/a	n/a	n/a	7.4	37
AstraZeneca AB US Patent					Assay Description ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyc...				US Patent US8552004 (2013) BindingDB Entry DOI: 10.7270/Q20P0XN6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268039 (2-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C27H30N6O2/c1-18-17-34-15-13-32(18)24-16-21(19-6-2-3-7-22(19)28)20-9-11-29-27(26(20)31-24)23-10-12-30-33(23)25-8-4-5-14-35-25/h2-3,6-7,9-12,16,18,25H,4-5,8,13-15,17,28H2,1H3/t18-,25?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.65	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair

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