Compile Data Set for Download or QSAR

Found 603 hits Enz. Inhib. hit(s) with all data for entry = 9790   

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))	BDBM420619 (US10479784, Compound IA-123 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccc(c1)[C@H](C)N |r| 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)/t14-/m0/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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM489483 (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)C1CCCNCC1 Show InChI InChI=1S/C24H21N7O2S/c25-12-16-11-15(21(32)14-3-1-8-27-9-7-14)5-6-17(16)18-13-28-22(26)20(29-18)24-31-30-23(33-24)19-4-2-10-34-19/h2,4-6,10-11,13-14,27H,1,3,7-9H2,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM489485 (US10961232, Compound IA-154) Show SMILES CC(C)Sc1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccc(c1)C(C)NC(=O)OC(C)(C)C Show InChI InChI=1S/C28H32N6O3S/c1-16(2)38-21-12-10-18(11-13-21)22-15-30-24(29)23(32-22)26-34-33-25(36-26)20-9-7-8-19(14-20)17(3)31-27(35)37-28(4,5)6/h7-17H,1-6H3,(H2,29,30)(H,31,35)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420915 (US10479784, Compound V-8 | US10961232, Compound V-...) Show SMILES Nc1ncc(nc1C(=O)Nc1n[nH]c2ccccc12)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H24N8O2/c25-21-20(23(33)29-22-17-4-1-2-5-18(17)30-31-22)28-19(14-27-21)15-6-8-16(9-7-15)24(34)32-12-3-10-26-11-13-32/h1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H2,29,30,31,33)	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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420917 (US10479784, Compound V-10 | US10961232, Compound V...) Show SMILES Nc1ncc(nc1C(=O)Nc1nc2ccccc2[nH]1)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H24N8O2/c25-21-20(22(33)31-24-29-17-4-1-2-5-18(17)30-24)28-19(14-27-21)15-6-8-16(9-7-15)23(34)32-12-3-10-26-11-13-32/h1-2,4-9,14,26H,3,10-13H2,(H2,25,27)(H2,29,30,31,33)	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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420909 (US10479784, Compound V-2 | US10961232, Compound V-...) Show SMILES Nc1ncc(nc1C(=O)Nc1nc2ccccc2[nH]1)-c1ccc(cc1C#N)C(=O)N1CCCNCC1 Show InChI InChI=1S/C25H23N9O2/c26-13-16-12-15(24(36)34-10-3-8-28-9-11-34)6-7-17(16)20-14-29-22(27)21(30-20)23(35)33-25-31-18-4-1-2-5-19(18)32-25/h1-2,4-7,12,14,28H,3,8-11H2,(H2,27,29)(H2,31,32,33,35)	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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420910 (US10479784, Compound V-3 | US10961232, Compound V-...) Show SMILES Nc1ncc(nc1C(=O)Nc1nc2ccccc2[nH]1)-c1ccncc1C#N Show InChI InChI=1S/C18H12N8O/c19-7-10-8-21-6-5-11(10)14-9-22-16(20)15(23-14)17(27)26-18-24-12-3-1-2-4-13(12)25-18/h1-6,8-9H,(H2,20,22)(H2,24,25,26,27)	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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420949 (US10479784, Compound VII-9 | US10961232, Compound ...) Show SMILES COc1ccncc1NC(=O)c1nc(cnc1N)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H17N5O4S/c1-27-15-7-8-20-9-14(15)23-18(24)16-17(19)21-10-13(22-16)11-3-5-12(6-4-11)28(2,25)26/h3-10H,1-2H3,(H2,19,21)(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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420952 (US10479784, Compound VII-12 | US10961232, Compound...) Show SMILES CNCc1cccc(NC(=O)c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c1 Show InChI InChI=1S/C22H25N5O3S/c1-14(2)31(29,30)18-9-7-16(8-10-18)19-13-25-21(23)20(27-19)22(28)26-17-6-4-5-15(11-17)12-24-3/h4-11,13-14,24H,12H2,1-3H3,(H2,23,25)(H,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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420327 (US10479784, Compound I-2 | US10961232, Compound I-...) Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccncc1C#N Show InChI InChI=1S/C17H12N6O/c18-8-11-9-20-7-6-13(11)14-10-21-16(19)15(23-14)17(24)22-12-4-2-1-3-5-12/h1-7,9-10H,(H2,19,21)(H,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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420358 (US10479784, Compound I-28 | US10961232, Compound I...) Show SMILES COc1ccccc1NC(=O)c1nc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C21H21N5O3/c1-26(2)21(28)14-10-8-13(9-11-14)16-12-23-19(22)18(24-16)20(27)25-15-6-4-5-7-17(15)29-3/h4-12H,1-3H3,(H2,22,23)(H,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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420438 (US10479784, Compound I-108 | US10961232, Compound ...) Show SMILES COc1ccc(C)cc1NC(=O)c1nc(cnc1N)-c1cccnc1 Show InChI InChI=1S/C18H17N5O2/c1-11-5-6-15(25-2)13(8-11)23-18(24)16-17(19)21-10-14(22-16)12-4-3-7-20-9-12/h3-10H,1-2H3,(H2,19,21)(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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420439 (2-(3-amino-6-(4-(methylsulfonyl)phenyl)pyrazin-2-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2cccc(O)c2[nH]1 Show InChI InChI=1S/C18H15N5O3S/c1-27(25,26)11-7-5-10(6-8-11)13-9-20-17(19)16(21-13)18-22-12-3-2-4-14(24)15(12)23-18/h2-9,24H,1H3,(H2,19,20)(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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420465 (US10479784, Compound I-134 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C21H20N6O2S/c22-20-19(21-25-16-5-1-2-6-17(16)26-21)24-18(13-23-20)14-7-9-15(10-8-14)30(28,29)27-11-3-4-12-27/h1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420475 (5-(4-(methylsulfonyl)phenyl)-3-(5-phenyl-1,2,4-oxa...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1noc(n1)-c1ccccc1 Show InChI InChI=1S/C19H15N5O3S/c1-28(25,26)14-9-7-12(8-10-14)15-11-21-17(20)16(22-15)18-23-19(27-24-18)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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420478 (US10479784, Compound I-147 | US10961232, Compound ...) Show SMILES Cc1ccc2nc([nH]c2c1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N1CCCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C29H33N7O3/c1-18-6-11-21-22(16-18)34-26(33-21)24-25(30)31-17-23(32-24)19-7-9-20(10-8-19)27(37)35-12-5-13-36(15-14-35)28(38)39-29(2,3)4/h6-11,16-17H,5,12-15H2,1-4H3,(H2,30,31)(H,33,34)	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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM489333 (US10961232, Compound IA-1) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCCNCC1 Show InChI InChI=1S/C24H23N7O2/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	PC cid PC sid 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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420487 (US10479784, Compound IA-4 | US10961232, Compound I...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc(cc1F)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C26H26FN7O2/c1-33(2)18-10-12-34(13-11-18)26(35)19-9-8-17(14-20(19)27)21-15-29-23(28)22(30-21)25-32-31-24(36-25)16-6-4-3-5-7-16/h3-9,14-15,18H,10-13H2,1-2H3,(H2,28,29)	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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420488 (US10479784, Compound IA-5 | US10961232, Compound I...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1ccc(cc1F)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 |r| Show InChI InChI=1S/C25H24FN7O2/c1-32(2)17-10-11-33(14-17)25(34)18-9-8-16(12-19(18)26)20-13-28-22(27)21(29-20)24-31-30-23(35-24)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11,14H2,1-2H3,(H2,27,28)/t17-/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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420489 (US10479784, Compound IA-6 | US10961232, Compound I...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(C(=O)N2CCCNCC2)c(F)c1 Show InChI InChI=1S/C24H22FN7O2/c25-18-13-16(7-8-17(18)24(33)32-11-4-9-27-10-12-32)19-14-28-21(26)20(29-19)23-31-30-22(34-23)15-5-2-1-3-6-15/h1-3,5-8,13-14,27H,4,9-12H2,(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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM489339 (US10961232, Compound IA-8) Show SMILES CCOPN1CCCN(CC1)C(=O)c1ccc(cc1F)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C26H27FN7O3P/c1-2-36-38-34-12-6-11-33(13-14-34)26(35)19-10-9-18(15-20(19)27)21-16-29-23(28)22(30-21)25-32-31-24(37-25)17-7-4-3-5-8-17/h3-5,7-10,15-16,38H,2,6,11-14H2,1H3,(H2,28,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420493 (US10479784, Compound IA-9 | US10961232, Compound I...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C24H23N7O2/c1-30-11-13-31(14-12-30)24(32)18-9-7-16(8-10-18)19-15-26-21(25)20(27-19)23-29-28-22(33-23)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM489341 (US10961232, Compound IA-10) Show SMILES CCNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)C(C)C Show InChI InChI=1S/C25H27N5O2S/c1-4-27-14-17-5-7-18(8-6-17)21-13-23(32-30-21)24-25(26)28-15-22(29-24)19-9-11-20(12-10-19)33(31)16(2)3/h5-13,15-16,27H,4,14H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid 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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair

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