Compile Data Set for Download or QSAR

Found 1551 hits with Last Name = 'maccormick' and Initial = 's'   

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))	BDBM50513177 (CHEMBL4444602) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CCOCC2)cc1 Show InChI InChI=1S/C28H31N5O4S/c1-18(2)38(34,35)23-9-7-21(8-10-23)25-17-31-28(29)27(32-25)26-15-24(33-37-26)20-5-3-19(4-6-20)16-30-22-11-13-36-14-12-22/h3-10,15,17-18,22,30H,11-14,16H2,1-2H3,(H2,29,31)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM350085 (3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420857 (US10479784, Compound IIA-10 | US10961232, Compound...) Show SMILES CCNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C25H27N5O3S/c1-4-27-14-17-5-7-18(8-6-17)21-13-23(33-30-21)24-25(26)28-15-22(29-24)19-9-11-20(12-10-19)34(31,32)16(2)3/h5-13,15-16,27H,4,14H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420852 (US10479784, Compound IIA-5 | US10961232, Compound ...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN)cc1 Show InChI InChI=1S/C23H23N5O3S/c1-14(2)32(29,30)18-9-7-17(8-10-18)20-13-26-23(25)22(27-20)21-11-19(28-31-21)16-5-3-15(12-24)4-6-16/h3-11,13-14H,12,24H2,1-2H3,(H2,25,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513173 (CHEMBL4566104) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@@H](C)N |r| Show InChI InChI=1S/C24H25N5O3S/c1-14(2)33(30,31)19-10-8-18(9-11-19)21-13-27-24(26)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)15(3)25/h4-15H,25H2,1-3H3,(H2,26,27)/t15-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513176 (CHEMBL4448538) Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(Cl)c1 Show InChI InChI=1S/C24H24ClN5O3S/c1-14(2)34(31,32)17-7-5-16(6-8-17)21-13-28-24(26)23(29-21)22-11-20(30-33-22)18-9-4-15(12-27-3)10-19(18)25/h4-11,13-14,27H,12H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513178 (CHEMBL4434665) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(s1)-c1ccccc1 Show InChI InChI=1S/C21H19N5O2S2/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)21-26-25-20(29-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513181 (CHEMBL4440048) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3S/c1-14(2)30(27,28)17-10-8-16(9-11-17)19-13-24-22(23)21(25-19)20-12-18(26-29-20)15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420609 (US10479784, Compound IA-116 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C21H19N5O3S/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)21-26-25-20(29-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513172 (CHEMBL4467848) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@H](C)N |r| Show InChI InChI=1S/C24H25N5O3S/c1-14(2)33(30,31)19-10-8-18(9-11-19)21-13-27-24(26)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)15(3)25/h4-15H,25H2,1-3H3,(H2,26,27)/t15-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513175 (CHEMBL4530813) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3S/c1-14(2)30(27,28)17-10-8-15(9-11-17)19-13-24-22(23)21(25-19)18-12-20(29-26-18)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420860 (US10479784, Compound IIA-13 | US10961232, Compound...) Show SMILES CNCc1ccc(cc1Cl)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H24ClN5O3S/c1-14(2)34(31,32)18-8-6-15(7-9-18)21-13-28-24(26)23(29-21)22-11-20(30-33-22)16-4-5-17(12-27-3)19(25)10-16/h4-11,13-14,27H,12H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513179 (CHEMBL4558884) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1ncc(o1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3S/c1-14(2)30(27,28)17-10-8-15(9-11-17)18-12-24-21(23)20(26-18)22-25-13-19(29-22)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341747 (3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H20N4O3S/c1-13(2)28(26,27)16-10-8-14(9-11-16)17-12-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,22)(H,23,25)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513174 (CHEMBL4445532) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1noc(n1)-c1ccccc1 Show InChI InChI=1S/C21H19N5O3S/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)20-25-21(29-26-20)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341751 (3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfon...) Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of full length recombinant ATR Morrison equation analysis				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM132734 (US8846917, I-1) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C21H20N6O2S/c1-14(2)30(28,29)17-10-8-15(9-11-17)18-12-23-21(22)20(24-18)19-13-27(26-25-19)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM350085 (3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description ATP competitive inhibition of human Flt4				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420835 (5-[4-[2-(dimethylamino)-1-methyl-ethyl]sulfonylphe...) Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1F Show InChI InChI=1S/C23H23FN6O3S/c1-14(13-30(2)3)34(31,32)16-10-8-15(9-11-16)19-12-26-21(25)20(27-19)23-29-28-22(33-23)17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H2,25,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420836 (US10479784, Compound IA-338 | US10961232, Compound...) Show SMILES CCC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1F Show InChI InChI=1S/C24H25FN6O2S/c1-4-14(2)34(32)17-8-6-16(7-9-17)20-13-28-22(26)21(29-20)24-31-30-23(33-24)18-10-5-15(12-27-3)11-19(18)25/h5-11,13-14,27H,4,12H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420837 (US10479784, Compound IA-339 | US10961232, Compound...) Show SMILES CC(CCO)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1F Show InChI InChI=1S/C22H20FN5O4S/c1-13(10-11-29)33(30,31)15-8-6-14(7-9-15)18-12-25-20(24)19(26-18)22-28-27-21(32-22)16-4-2-3-5-17(16)23/h2-9,12-13,29H,10-11H2,1H3,(H2,24,25)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420838 (US10479784, Compound IA-340) Show SMILES CC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccc(CNCCF)cc1F Show InChI InChI=1S/C24H26F2N6O2S/c1-14(2)35(33)17-6-4-16(5-7-17)20-13-31-22(27)21(32-20)24(29)34-23(28)18-8-3-15(11-19(18)26)12-30-10-9-25/h3-8,11,13-14,28-30H,9-10,12H2,1-2H3,(H2,27,31)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420839 (US10479784, Compound IA-341 | US10961232, Compound...) Show SMILES C[C@@H](O)CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(F)c1 |r| Show InChI InChI=1S/C25H27FN6O4S/c1-14(2)37(34,35)18-7-5-17(6-8-18)21-13-29-23(27)22(30-21)25-32-31-24(36-25)19-9-4-16(10-20(19)26)12-28-11-15(3)33/h4-10,13-15,28,33H,11-12H2,1-3H3,(H2,27,29)/t15-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420442 (US10479784, Compound I-112 | US10961232, Compound ...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2cccnc2[nH]1 Show InChI InChI=1S/C17H14N6O2S/c1-26(24,25)11-6-4-10(5-7-11)13-9-20-15(18)14(21-13)17-22-12-3-2-8-19-16(12)23-17/h2-9H,1H3,(H2,18,20)(H,19,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420444 (US10479784, Compound I-114 | US10961232, Compound ...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccc(Cl)cc2[nH]1 Show InChI InChI=1S/C18H14ClN5O2S/c1-27(25,26)12-5-2-10(3-6-12)15-9-21-17(20)16(22-15)18-23-13-7-4-11(19)8-14(13)24-18/h2-9H,1H3,(H2,20,21)(H,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420448 (US10479784, Compound I-118 | US10961232, Compound ...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccc(cc2[nH]1)C(F)(F)F Show InChI InChI=1S/C19H14F3N5O2S/c1-30(28,29)12-5-2-10(3-6-12)15-9-24-17(23)16(25-15)18-26-13-7-4-11(19(20,21)22)8-14(13)27-18/h2-9H,1H3,(H2,23,24)(H,26,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420734 (US10479784, Compound IA-234 | US10961232, Compound...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN)cc1 Show InChI InChI=1S/C22H21N7O2/c1-29(2)22(30)16-9-7-14(8-10-16)17-12-25-19(24)18(26-17)21-28-27-20(31-21)15-5-3-13(11-23)4-6-15/h3-10,12H,11,23H2,1-2H3,(H2,24,25)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420735 (2-[5-[3-amino-6-(4-isopropylsulfonylphenyl)pyrazin...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1O Show InChI InChI=1S/C21H19N5O4S/c1-12(2)31(28,29)14-9-7-13(8-10-14)16-11-23-19(22)18(24-16)21-26-25-20(30-21)15-5-3-4-6-17(15)27/h3-12,27H,1-2H3,(H2,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420738 (US10479784, Compound IA-238 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CO)cc1 Show InChI InChI=1S/C22H21N5O4S/c1-13(2)32(29,30)17-9-7-15(8-10-17)18-11-24-20(23)19(25-18)22-27-26-21(31-22)16-5-3-14(12-28)4-6-16/h3-11,13,28H,12H2,1-2H3,(H2,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420741 (US10479784, Compound IA-241 | US10961232, Compound...) Show SMILES CS(=O)c1ccccc1-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C19H15N5O2S/c1-27(25)15-10-6-5-9-13(15)14-11-21-17(20)16(22-14)19-24-23-18(26-19)12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,21)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420742 (US10479784, Compound IA-242 | US10961232, Compound...) Show SMILES COc1ccccc1-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C22H20N6O3/c1-28(2)22(29)14-10-8-13(9-11-14)16-12-24-19(23)18(25-16)21-27-26-20(31-21)15-6-4-5-7-17(15)30-3/h4-12H,1-3H3,(H2,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420743 (US10479784, Compound IA-243 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN(C)C)cc1 Show InChI InChI=1S/C24H26N6O3S/c1-15(2)34(31,32)19-11-9-17(10-12-19)20-13-26-22(25)21(27-20)24-29-28-23(33-24)18-7-5-16(6-8-18)14-30(3)4/h5-13,15H,14H2,1-4H3,(H2,25,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420746 (US10479784, Compound IA-246 | US10961232, Compound...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cc(C)cs1 Show InChI InChI=1S/C20H18N6O2S/c1-11-8-15(29-10-11)18-24-25-19(28-18)16-17(21)22-9-14(23-16)12-4-6-13(7-5-12)20(27)26(2)3/h4-10H,1-3H3,(H2,21,22)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420748 (US10479784, Compound IA-248 | US10961232, Compound...) Show SMILES CC(C)NCc1ccc(s1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C23H26N6O3S2/c1-13(2)25-11-16-7-10-19(33-16)22-28-29-23(32-22)20-21(24)26-12-18(27-20)15-5-8-17(9-6-15)34(30,31)14(3)4/h5-10,12-14,25H,11H2,1-4H3,(H2,24,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420756 (US10479784, Compound IA-256 | US10961232, Compound...) Show SMILES CCS(=O)c1ccccc1-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C20H17N5O2S/c1-2-28(26)16-11-7-6-10-14(16)15-12-22-18(21)17(23-15)20-25-24-19(27-20)13-8-4-3-5-9-13/h3-12H,2H2,1H3,(H2,21,22)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420757 (US10479784, Compound IA-257 | US10961232, Compound...) Show SMILES CS(=O)c1ccccc1-c1cnc(N)c(n1)-c1nnc(o1)-c1cccc(CN)c1 Show InChI InChI=1S/C20H18N6O2S/c1-29(27)16-8-3-2-7-14(16)15-11-23-18(22)17(24-15)20-26-25-19(28-20)13-6-4-5-12(9-13)10-21/h2-9,11H,10,21H2,1H3,(H2,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420758 (3-(5-ethynyl-1,3,4-oxadiazol-2-yl)-5-(4-isopropyls...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)C#C Show InChI InChI=1S/C17H15N5O3S/c1-4-14-21-22-17(25-14)15-16(18)19-9-13(20-15)11-5-7-12(8-6-11)26(23,24)10(2)3/h1,5-10H,2-3H3,(H2,18,19)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420762 (US10479784, Compound IA-262 | US10961232, Compound...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccsc1 Show InChI InChI=1S/C19H16N6O2S/c1-25(2)19(26)12-5-3-11(4-6-12)14-9-21-16(20)15(22-14)18-24-23-17(27-18)13-7-8-28-10-13/h3-10H,1-2H3,(H2,20,21)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420764 (1-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazi...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-n1cccc1C#N Show InChI InChI=1S/C17H11N7O/c18-9-12-7-4-8-24(12)13-10-20-15(19)14(21-13)17-23-22-16(25-17)11-5-2-1-3-6-11/h1-8,10H,(H2,19,20)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420769 (US10479784, Compound IA-269 | US10961232, Compound...) Show SMILES CN(C)CCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1sccc1C Show InChI InChI=1S/C21H22N6O3S2/c1-13-8-10-31-18(13)21-26-25-20(30-21)17-19(22)23-12-16(24-17)14-4-6-15(7-5-14)32(28,29)11-9-27(2)3/h4-8,10,12H,9,11H2,1-3H3,(H2,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420770 (5-[3-amino-6-(4-isopropylsulfonylphenyl)pyrazin-2-...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(N)o1 Show InChI InChI=1S/C15H16N6O3S/c1-8(2)25(22,23)10-5-3-9(4-6-10)11-7-18-13(16)12(19-11)14-20-21-15(17)24-14/h3-8H,1-2H3,(H2,16,18)(H2,17,21)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420775 (US10479784, Compound IA-274 | US10961232, Compound...) Show SMILES CS(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C19H15N5O2S/c1-27(25)14-9-7-12(8-10-14)15-11-21-17(20)16(22-15)19-24-23-18(26-19)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,21)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420777 (5-(4-isopropylsulfonylphenyl)-3-[5-(3-methyl-2-thi...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1sccc1C Show InChI InChI=1S/C20H19N5O3S2/c1-11(2)30(26,27)14-6-4-13(5-7-14)15-10-22-18(21)16(23-15)19-24-25-20(28-19)17-12(3)8-9-29-17/h4-11H,1-3H3,(H2,21,22)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420778 (4-(5-amino-6-(5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2...) Show SMILES CCOc1ccccc1-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C23H22N6O3/c1-4-31-18-8-6-5-7-16(18)21-27-28-22(32-21)19-20(24)25-13-17(26-19)14-9-11-15(12-10-14)23(30)29(2)3/h5-13H,4H2,1-3H3,(H2,24,25)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420781 (US10479784, Compound IA-280 | US10961232, Compound...) Show SMILES CC(C)(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O3S/c1-22(2,3)31(28,29)16-11-9-14(10-12-16)17-13-24-19(23)18(25-17)21-27-26-20(30-21)15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420782 (4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,...) Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C23H23N7O2/c1-25-12-14-4-6-16(7-5-14)21-28-29-22(32-21)19-20(24)26-13-18(27-19)15-8-10-17(11-9-15)23(31)30(2)3/h4-11,13,25H,12H2,1-3H3,(H2,24,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420783 (US10479784, Compound IA-282 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccc(c1)C(C)N Show InChI InChI=1S/C23H24N6O3S/c1-13(2)33(30,31)18-9-7-15(8-10-18)19-12-26-21(25)20(27-19)23-29-28-22(32-23)17-6-4-5-16(11-17)14(3)24/h4-14H,24H2,1-3H3,(H2,25,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420785 (US10479784, Compound IA-284) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1OCCCO Show InChI InChI=1S/C24H24N6O4/c1-30(2)24(32)16-10-8-15(9-11-16)18-14-26-21(25)20(27-18)23-29-28-22(34-23)17-6-3-4-7-19(17)33-13-5-12-31/h3-4,6-11,14,31H,5,12-13H2,1-2H3,(H2,25,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420411 (US10479784, Compound I-81 | US10961232, Compound I...) Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCN(CCC#N)CC1 Show InChI InChI=1S/C25H25N7O2/c26-11-4-12-31-13-15-32(16-14-31)25(34)19-9-7-18(8-10-19)21-17-28-23(27)22(30-21)24(33)29-20-5-2-1-3-6-20/h1-3,5-10,17H,4,12-16H2,(H2,27,28)(H,29,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420674 (US10479784, Compound IA-178) Show SMILES CC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccc(CNCCO)cc1 Show InChI InChI=1S/C24H28N6O3S/c1-15(2)34(32)19-9-7-17(8-10-19)20-14-29-22(25)21(30-20)24(27)33-23(26)18-5-3-16(4-6-18)13-28-11-12-31/h3-10,14-15,26-28,31H,11-13H2,1-2H3,(H2,25,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair

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