Compile Data Set for Download or QSAR

Found 603 hits Enz. Inhib. hit(s) with all data for entry = 8818   

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))	BDBM420620 (US10479784, Compound IA-124 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(cc1)[C@@H](C)N |r| Show InChI InChI=1S/C23H24N6O3S/c1-13(2)33(30,31)18-10-8-16(9-11-18)19-12-26-21(25)20(27-19)23-29-28-22(32-23)17-6-4-15(5-7-17)14(3)24/h4-14H,24H2,1-3H3,(H2,25,26)/t14-/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))	BDBM420622 (4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazi...) Show SMILES CN(C)C(=O)c1ccc(-c2cnc(N)c(n2)-c2nnc(o2)-c2ccccc2)c(c1)C(F)F Show InChI InChI=1S/C22H18F2N6O2/c1-30(2)22(31)13-8-9-14(15(10-13)18(23)24)16-11-26-19(25)17(27-16)21-29-28-20(32-21)12-6-4-3-5-7-12/h3-11,18H,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))	BDBM420624 (5-[3-amino-6-(4-isopropylsulfonylphenyl)pyrazin-2-...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)C(O)=O Show InChI InChI=1S/C16H15N5O5S/c1-8(2)27(24,25)10-5-3-9(4-6-10)11-7-18-13(17)12(19-11)14-20-21-15(26-14)16(22)23/h3-8H,1-2H3,(H2,17,18)(H,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))	BDBM420628 (US10479784, Compound IA-132 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(n2)-c2nnc(o2)-c2ccccc2)c(c1)C#N Show InChI InChI=1S/C22H18N6O3S/c1-13(2)32(29,30)16-8-9-17(15(10-16)11-23)18-12-25-20(24)19(26-18)22-28-27-21(31-22)14-6-4-3-5-7-14/h3-10,12-13H,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))	BDBM420631 (US10479784, Compound IA-135 | US10961232, Compound...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccn1C Show InChI InChI=1S/C20H19N7O2/c1-26(2)20(28)13-8-6-12(7-9-13)14-11-22-17(21)16(23-14)19-25-24-18(29-19)15-5-4-10-27(15)3/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))	BDBM420635 (US10479784, Compound IA-139 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(cc1)N(C)C(CO)(CO)CO Show InChI InChI=1S/C26H30N6O6S/c1-16(2)39(36,37)20-10-6-17(7-11-20)21-12-28-23(27)22(29-21)25-31-30-24(38-25)18-4-8-19(9-5-18)32(3)26(13-33,14-34)15-35/h4-12,16,33-35H,13-15H2,1-3H3,(H2,27,28)	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))	BDBM420636 (US10479784, Compound IA-140 | US10961232, Compound...) Show SMILES CNCc1ccc(s1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C21H22N6O3S2/c1-12(2)32(28,29)15-7-4-13(5-8-15)16-11-24-19(22)18(25-16)21-27-26-20(30-21)17-9-6-14(31-17)10-23-3/h4-9,11-12,23H,10H2,1-3H3,(H2,22,24)	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))	BDBM420637 (US10479784, Compound IA-141 | US10961232, Compound...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1cccs1)-c1ccncc1 Show InChI InChI=1S/C15H10N6OS/c16-13-12(15-21-20-14(22-15)11-2-1-7-23-11)19-10(8-18-13)9-3-5-17-6-4-9/h1-8H,(H2,16,18)	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))	BDBM420638 (US10479784, Compound IA-142 | US10961232, Compound...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccc(N)c1 Show InChI InChI=1S/C21H19N7O2/c1-28(2)21(29)13-8-6-12(7-9-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-4-3-5-15(22)10-14/h3-11H,22H2,1-2H3,(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))	BDBM420641 (US10479784, Compound IA-145 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc2CNCCc2c1 Show InChI InChI=1S/C24H24N6O3S/c1-14(2)34(31,32)19-7-5-15(6-8-19)20-13-27-22(25)21(28-20)24-30-29-23(33-24)17-3-4-18-12-26-10-9-16(18)11-17/h3-8,11,13-14,26H,9-10,12H2,1-2H3,(H2,25,27)	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))	BDBM420642 (US10479784, Compound IA-146 | US10961232, Compound...) Show SMILES CNCc1cccc(c1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)C(C)C Show InChI InChI=1S/C23H24N6O2S/c1-14(2)32(30)18-9-7-16(8-10-18)19-13-26-21(24)20(27-19)23-29-28-22(31-23)17-6-4-5-15(11-17)12-25-3/h4-11,13-14,25H,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))	BDBM420643 (US10479784, Compound IA-147 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(s1)C1CCCN1 Show InChI InChI=1S/C23H24N6O3S2/c1-13(2)34(30,31)15-7-5-14(6-8-15)17-12-26-21(24)20(27-17)23-29-28-22(32-23)19-10-9-18(33-19)16-4-3-11-25-16/h5-10,12-13,16,25H,3-4,11H2,1-2H3,(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))	BDBM420645 (US10479784, Compound IA-149 | US10961232, Compound...) Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C20H17N5O3S/c1-2-29(26,27)15-10-8-13(9-11-15)16-12-22-18(21)17(23-16)20-25-24-19(28-20)14-6-4-3-5-7-14/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))	BDBM420648 (2-(5-amino-6-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1cccs1)-c1ccc(cc1C#N)C(=O)N1CCCNCC1 Show InChI InChI=1S/C23H20N8O2S/c24-12-15-11-14(23(32)31-8-2-6-26-7-9-31)4-5-16(15)17-13-27-20(25)19(28-17)22-30-29-21(33-22)18-3-1-10-34-18/h1,3-5,10-11,13,26H,2,6-9H2,(H2,25,27)	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))	BDBM420650 (US10479784, Compound IA-154) Show SMILES CC(C)Sc1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1cccc(c1)C(C)NC(=O)OC(C)(C)C Show InChI InChI=1S/C28H34N6O3S/c1-16(2)38-21-12-10-18(11-13-21)22-15-32-24(29)23(34-22)26(31)36-25(30)20-9-7-8-19(14-20)17(3)33-27(35)37-28(4,5)6/h7-17,30-31H,1-6H3,(H2,29,32)(H,33,35)	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))	BDBM420654 (US10479784, Compound IA-158 | US10961232, Compound...) Show SMILES CC(C)S(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC2CC2)cc1 Show InChI InChI=1S/C25H26N6O2S/c1-15(2)34(32)20-11-7-17(8-12-20)21-14-28-23(26)22(29-21)25-31-30-24(33-25)18-5-3-16(4-6-18)13-27-19-9-10-19/h3-8,11-12,14-15,19,27H,9-10,13H2,1-2H3,(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))	BDBM420655 (5-(4-isopropylsulfonylphenyl)-3-[5-[4-(methylamino...) Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C23H24N6O3S/c1-14(2)33(30,31)18-10-8-16(9-11-18)19-13-26-21(24)20(27-19)23-29-28-22(32-23)17-6-4-15(5-7-17)12-25-3/h4-11,13-14,25H,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))	BDBM420662 (5-(4-isopropylsulfonylphenyl)-3-[5-[2-methyl-4-(me...) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(C)c1 Show InChI InChI=1S/C24H26N6O3S/c1-14(2)34(31,32)18-8-6-17(7-9-18)20-13-27-22(25)21(28-20)24-30-29-23(33-24)19-10-5-16(12-26-4)11-15(19)3/h5-11,13-14,26H,12H2,1-4H3,(H2,25,27)	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))	BDBM420663 (US10479784, Compound IA-167 | US10961232, Compound...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1sccc1C Show InChI InChI=1S/C20H18N6O2S/c1-11-8-9-29-16(11)19-25-24-18(28-19)15-17(21)22-10-14(23-15)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))	BDBM420665 (US10479784, Compound IA-169 | US10961232, Compound...) Show SMILES CN(C)CCS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C22H22N6O3S/c1-28(2)12-13-32(29,30)17-10-8-15(9-11-17)18-14-24-20(23)19(25-18)22-27-26-21(31-22)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(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))	BDBM420667 (5-(4-isopropylsulfonylphenyl)-3-[5-[2-methoxy-4-(m...) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(OC)c1 Show InChI InChI=1S/C24H26N6O4S/c1-14(2)35(31,32)17-8-6-16(7-9-17)19-13-27-22(25)21(28-19)24-30-29-23(34-24)18-10-5-15(12-26-3)11-20(18)33-4/h5-11,13-14,26H,12H2,1-4H3,(H2,25,27)	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))	BDBM420668 (4-(5-amino-6-(5-(3-methoxythiophen-2-yl)-1,3,4-oxa...) Show SMILES COc1ccsc1-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C20H18N6O3S/c1-26(2)20(27)12-6-4-11(5-7-12)13-10-22-17(21)15(23-13)18-24-25-19(29-18)16-14(28-3)8-9-30-16/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))	BDBM420669 (US10479784, Compound IA-173 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN)s1 Show InChI InChI=1S/C20H20N6O3S2/c1-11(2)31(27,28)14-6-3-12(4-7-14)15-10-23-18(22)17(24-15)20-26-25-19(29-20)16-8-5-13(9-21)30-16/h3-8,10-11H,9,21H2,1-2H3,(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))	BDBM420671 (US10479784, Compound IA-175 | US10961232, Compound...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1OCCNC(=O)OC(C)(C)C Show InChI InChI=1S/C28H31N7O5/c1-28(2,3)40-27(37)30-14-15-38-21-9-7-6-8-19(21)24-33-34-25(39-24)22-23(29)31-16-20(32-22)17-10-12-18(13-11-17)26(36)35(4)5/h6-13,16H,14-15H2,1-5H3,(H2,29,31)(H,30,37)	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))	BDBM420626 (US10479784, Compound IA-130 | US10961232, Compound...) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(F)c1 Show InChI InChI=1S/C23H23FN6O3S/c1-13(2)34(31,32)16-7-5-15(6-8-16)19-12-27-21(25)20(28-19)23-30-29-22(33-23)17-9-4-14(11-26-3)10-18(17)24/h4-10,12-13,26H,11H2,1-3H3,(H2,25,27)	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))	BDBM420862 (3-[3-[2-fluoro-4-(methylaminomethyl)phenyl]isoxazo...) Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C2CCOC2)c(F)c1 Show InChI InChI=1S/C25H24FN5O4S/c1-28-12-15-2-7-19(20(26)10-15)21-11-23(35-31-21)24-25(27)29-13-22(30-24)16-3-5-17(6-4-16)36(32,33)18-8-9-34-14-18/h2-7,10-11,13,18,28H,8-9,12,14H2,1H3,(H2,27,29)	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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420869 (US10479784, Compound IVA-1 | US10961232, Compound ...) Show SMILES CN(C)C(=O)c1ccc(-c2cnc(N)c(n2)-c2nnc(s2)-c2ccccc2)c(c1)C#N Show InChI InChI=1S/C22H17N7OS/c1-29(2)22(30)14-8-9-16(15(10-14)11-23)17-12-25-19(24)18(26-17)21-28-27-20(31-21)13-6-4-3-5-7-13/h3-10,12H,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))	BDBM420870 (US10479784, Compound IVA-2 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(s1)-c1ccccc1)-c1ccc(cc1C#N)C(=O)N1CCCNCC1 Show InChI InChI=1S/C25H22N8OS/c26-14-18-13-17(25(34)33-11-4-9-28-10-12-33)7-8-19(18)20-15-29-22(27)21(30-20)24-32-31-23(35-24)16-5-2-1-3-6-16/h1-3,5-8,13,15,28H,4,9-12H2,(H2,27,29)	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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420879 (US10479784, Compound III-7 | US10961232, Compound ...) Show SMILES Cc1cccc2nc([nH]c12)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H25N7O/c1-15-4-2-5-18-20(15)30-23(29-18)21-22(25)27-14-19(28-21)16-6-8-17(9-7-16)24(32)31-12-3-10-26-11-13-31/h2,4-9,14,26H,3,10-13H2,1H3,(H2,25,27)(H,29,30)	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))	BDBM420880 (US10479784, Compound III-8 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)C(=O)N1CCNCC1 Show InChI InChI=1S/C22H21N7O/c23-20-19(21-27-16-3-1-2-4-17(16)28-21)26-18(13-25-20)14-5-7-15(8-6-14)22(30)29-11-9-24-10-12-29/h1-8,13,24H,9-12H2,(H2,23,25)(H,27,28)	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))	BDBM420883 (US10479784, Compound III-11 | US10961232, Compound...) Show SMILES COc1ccc2nc([nH]c2c1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H25N7O2/c1-33-17-7-8-18-19(13-17)30-23(29-18)21-22(25)27-14-20(28-21)15-3-5-16(6-4-15)24(32)31-11-2-9-26-10-12-31/h3-8,13-14,26H,2,9-12H2,1H3,(H2,25,27)(H,29,30)	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))	BDBM420498 (US10479784, Compound IA-14 | US10961232, Compound ...) Show SMILES COCCN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C23H22N6O3/c1-29(12-13-31-2)23(30)17-10-8-15(9-11-17)18-14-25-20(24)19(26-18)22-28-27-21(32-22)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(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))	BDBM420500 (US10479784, Compound IA-15 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCCOCC1 Show InChI InChI=1S/C24H22N6O3/c25-21-20(23-29-28-22(33-23)17-5-2-1-3-6-17)27-19(15-26-21)16-7-9-18(10-8-16)24(31)30-11-4-13-32-14-12-30/h1-3,5-10,15H,4,11-14H2,(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))	BDBM420501 (US10479784, Compound IA-16 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCNC(C1)C(F)(F)F Show InChI InChI=1S/C24H20F3N7O2/c25-24(26,27)18-13-34(11-10-29-18)23(35)16-8-6-14(7-9-16)17-12-30-20(28)19(31-17)22-33-32-21(36-22)15-4-2-1-3-5-15/h1-9,12,18,29H,10-11,13H2,(H2,28,30)	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))	BDBM420503 (US10479784, Compound IA-18 | US10961232, Compound ...) Show SMILES CCC1CN(CCN1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C25H25N7O2/c1-2-19-15-32(13-12-27-19)25(33)18-10-8-16(9-11-18)20-14-28-22(26)21(29-20)24-31-30-23(34-24)17-6-4-3-5-7-17/h3-11,14,19,27H,2,12-13,15H2,1H3,(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))	BDBM420504 (US10479784, Compound IA-19) Show SMILES Cc1cc(ccc1-c1cnc(N)c(n1)C(=N)OC(=N)c1ccccc1)C(=O)N1CCCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C30H35N7O4/c1-19-17-21(28(38)36-13-8-14-37(16-15-36)29(39)41-30(2,3)4)11-12-22(19)23-18-34-25(31)24(35-23)27(33)40-26(32)20-9-6-5-7-10-20/h5-7,9-12,17-18,32-33H,8,13-16H2,1-4H3,(H2,31,34)	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))	BDBM420505 (US10479784, Compound IA-20 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1C#N)C(=O)N1CCCNCC1 Show InChI InChI=1S/C25H22N8O2/c26-14-18-13-17(25(34)33-11-4-9-28-10-12-33)7-8-19(18)20-15-29-22(27)21(30-20)24-32-31-23(35-24)16-5-2-1-3-6-16/h1-3,5-8,13,15,28H,4,9-12H2,(H2,27,29)	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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420509 (4-(5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazi...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C21H18N6O2/c1-27(2)21(28)15-10-8-13(9-11-15)16-12-23-18(22)17(24-16)20-26-25-19(29-20)14-6-4-3-5-7-14/h3-12H,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))	BDBM420513 (US10479784, Compound IA-26 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C20H18N6O4S/c21-18-17(20-26-25-19(30-20)14-4-2-1-3-5-14)24-16(12-22-18)13-6-8-15(9-7-13)31(28,29)23-10-11-27/h1-9,12,23,27H,10-11H2,(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))	BDBM420515 (US10479784, Compound IA-28) Show SMILES CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccccc1 Show InChI InChI=1S/C29H33N7O4/c1-29(2,3)40-28(38)36-15-7-14-35(16-17-36)27(37)21-12-10-19(11-13-21)22-18-33-24(30)23(34-22)26(32)39-25(31)20-8-5-4-6-9-20/h4-6,8-13,18,31-32H,7,14-17H2,1-3H3,(H2,30,33)	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))	BDBM420516 (US10479784, Compound IA-29 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCCN(CC1)C=O Show InChI InChI=1S/C25H23N7O3/c26-22-21(24-30-29-23(35-24)18-5-2-1-3-6-18)28-20(15-27-22)17-7-9-19(10-8-17)25(34)32-12-4-11-31(16-33)13-14-32/h1-3,5-10,15-16H,4,11-14H2,(H2,26,27)	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))	BDBM420517 (US10479784, Compound IA-30 | US10961232, Compound ...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1F Show InChI InChI=1S/C21H17FN6O2/c1-28(2)21(29)13-9-7-12(8-10-13)16-11-24-18(23)17(25-16)20-27-26-19(30-20)14-5-3-4-6-15(14)22/h3-11H,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))	BDBM420518 (US10479784, Compound IA-31) Show SMILES CC(C)(C)CC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccccc1 Show InChI InChI=1S/C30H35N7O3/c1-30(2,3)18-24(38)36-14-7-15-37(17-16-36)29(39)22-12-10-20(11-13-22)23-19-34-26(31)25(35-23)28(33)40-27(32)21-8-5-4-6-9-21/h4-6,8-13,19,32-33H,7,14-18H2,1-3H3,(H2,31,34)	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))	BDBM420521 (US10479784, Compound IA-34) Show SMILES COC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=N)OC(=N)c1ccccc1 Show InChI InChI=1S/C26H27N7O4/c1-36-26(35)33-13-5-12-32(14-15-33)25(34)19-10-8-17(9-11-19)20-16-30-22(27)21(31-20)24(29)37-23(28)18-6-3-2-4-7-18/h2-4,6-11,16,28-29H,5,12-15H2,1H3,(H2,27,30)	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))	BDBM420522 (US10479784, Compound IA-35 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccncc1C#N Show InChI InChI=1S/C18H11N7O/c19-8-12-9-21-7-6-13(12)14-10-22-16(20)15(23-14)18-25-24-17(26-18)11-4-2-1-3-5-11/h1-7,9-10H,(H2,20,22)	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))	BDBM420526 (US10479784, Compound IA-39 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1C(F)(F)F)C(=O)N1CCCNCC1 Show InChI InChI=1S/C25H22F3N7O2/c26-25(27,28)18-13-16(24(36)35-11-4-9-30-10-12-35)7-8-17(18)19-14-31-21(29)20(32-19)23-34-33-22(37-23)15-5-2-1-3-6-15/h1-3,5-8,13-14,30H,4,9-12H2,(H2,29,31)	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))	BDBM420534 (US10479784, Compound IA-47 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(nc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C23H22N8O2/c24-20-19(22-30-29-21(33-22)15-5-2-1-3-6-15)28-18(14-27-20)16-7-8-17(26-13-16)23(32)31-11-4-9-25-10-12-31/h1-3,5-8,13-14,25H,4,9-12H2,(H2,24,27)	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))	BDBM420539 (US10479784, Compound IA-52 | US10961232, Compound ...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccs1 Show InChI InChI=1S/C19H16N6O2S/c1-25(2)19(26)12-7-5-11(6-8-12)13-10-21-16(20)15(22-13)18-24-23-17(27-18)14-4-3-9-28-14/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))	BDBM420547 (US10479784, Compound IA-60 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C17H12N6O/c18-15-14(21-13(10-20-15)11-6-8-19-9-7-11)17-23-22-16(24-17)12-4-2-1-3-5-12/h1-10H,(H2,18,20)	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))	BDBM420555 (US10479784, Compound IA-68 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(s1)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H23N7OS/c25-21-20(23-30-29-22(33-23)17-5-2-1-3-6-17)28-19(15-27-21)16-7-9-18(10-8-16)24(32)31-13-4-11-26-12-14-31/h1-3,5-10,15,26H,4,11-14H2,(H2,25,27)	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

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