Compile Data Set for Download or QSAR

Found 210 hits with Last Name = 'hurley' and Initial = 'dj'   

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))	BDBM323353 (US9630956, Compound I-90) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(Cl)c1 Show InChI InChI=1S/C20H17ClN6O2/c1-23-8-11-2-4-12(5-3-11)15-7-17(29-27-15)18-19(22)24-10-16(26-18)13-6-14(21)20(28)25-9-13/h2-7,9-10,23H,8H2,1H3,(H2,22,24)(H,25,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323354 (US9630956, Compound I-91) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C(=O)NC Show InChI InChI=1S/C24H25N7O3/c1-14(24(33)27-3)31-13-17(8-9-21(31)32)19-12-28-23(25)22(29-19)20-10-18(30-34-20)16-6-4-15(5-7-16)11-26-2/h4-10,12-14,26H,11H2,1-3H3,(H2,25,28)(H,27,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323355 (US9630956, Compound I-92) Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1ccc(=O)n(c1)C1CCCC1 Show InChI InChI=1S/C27H28N6O2/c28-27-26(24-13-22(32-35-24)18-7-5-17(6-8-18)14-29-20-10-11-20)31-23(15-30-27)19-9-12-25(34)33(16-19)21-3-1-2-4-21/h5-9,12-13,15-16,20-21,29H,1-4,10-11,14H2,(H2,28,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323356 (US9630956, Compound I-93) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1 Show InChI InChI=1S/C27H30N6O2/c1-3-21(4-2)33-16-19(9-12-25(33)34)23-15-30-27(28)26(31-23)24-13-22(32-35-24)18-7-5-17(6-8-18)14-29-20-10-11-20/h5-9,12-13,15-16,20-21,29H,3-4,10-11,14H2,1-2H3,(H2,28,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323357 (US9630956, Compound I-94) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)C(C)N Show InChI InChI=1S/C25H28N6O2/c1-4-19(5-2)31-14-18(9-10-23(31)32)21-13-28-25(27)24(29-21)22-12-20(30-33-22)17-8-6-7-16(11-17)15(3)26/h6-15,19H,4-5,26H2,1-3H3,(H2,27,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323358 (US9630956, Compound I-95) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCOC)c1 Show InChI InChI=1S/C23H24N6O3/c1-25-12-15-3-5-16(6-4-15)18-11-20(32-28-18)22-23(24)26-13-19(27-22)17-7-8-21(30)29(14-17)9-10-31-2/h3-8,11,13-14,25H,9-10,12H2,1-2H3,(H2,24,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323359 (US9630956, Compound I-96) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCC2CC2)c1 Show InChI InChI=1S/C25H26N6O2/c1-27-13-17-4-6-18(7-5-17)20-12-22(33-30-20)24-25(26)28-14-21(29-24)19-8-9-23(32)31(15-19)11-10-16-2-3-16/h4-9,12,14-16,27H,2-3,10-11,13H2,1H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323360 (US9630956, Compound I-97) Show SMILES CC[C@H](C)Cn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 |r| Show InChI InChI=1S/C25H28N6O2/c1-4-16(2)14-31-15-19(9-10-23(31)32)21-13-28-25(26)24(29-21)22-11-20(30-33-22)18-7-5-17(6-8-18)12-27-3/h5-11,13,15-16,27H,4,12,14H2,1-3H3,(H2,26,28)/t16-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323361 (US9630956, Compound I-98) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC(N)=O)c1 Show InChI InChI=1S/C22H21N7O3/c1-25-9-13-2-4-14(5-3-13)16-8-18(32-28-16)21-22(24)26-10-17(27-21)15-6-7-20(31)29(11-15)12-19(23)30/h2-8,10-11,25H,9,12H2,1H3,(H2,23,30)(H2,24,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323362 (US9630956, Compound I-99) Show SMILES CC(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1 Show InChI InChI=1S/C25H23N7O2/c1-15(11-26)32-14-18(6-9-23(32)33)21-13-29-25(27)24(30-21)22-10-20(31-34-22)17-4-2-16(3-5-17)12-28-19-7-8-19/h2-6,9-10,13-15,19,28H,7-8,12H2,1H3,(H2,27,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323363 (US9630956, Compound I-100) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C(C)C Show InChI InChI=1S/C23H24N6O2/c1-13(2)17-8-16(11-27-23(17)30)19-12-26-22(24)21(28-19)20-9-18(29-31-20)15-6-4-14(5-7-15)10-25-3/h4-9,11-13,25H,10H2,1-3H3,(H2,24,26)(H,27,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323365 (US9630956, Compound I-102) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C(=O)N1CCCC1 Show InChI InChI=1S/C27H29N7O3/c1-17(27(36)33-11-3-4-12-33)34-16-20(9-10-24(34)35)22-15-30-26(28)25(31-22)23-13-21(32-37-23)19-7-5-18(6-8-19)14-29-2/h5-10,13,15-17,29H,3-4,11-12,14H2,1-2H3,(H2,28,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323366 (US9630956, Compound I-103) Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)[nH]c1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323367 (US9630956, Compound I-104) Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C(N)=O Show InChI InChI=1S/C23H23N7O3/c1-12(24)14-4-3-5-15(8-14)17-9-19(33-29-17)21-22(25)27-10-18(28-21)16-6-7-20(31)30(11-16)13(2)23(26)32/h3-13H,24H2,1-2H3,(H2,25,27)(H2,26,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323368 (US9630956, Compound I-105) Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2(C)CC2)c1 Show InChI InChI=1S/C25H26N6O2/c1-15(26)16-4-3-5-17(10-16)19-11-21(33-30-19)23-24(27)28-12-20(29-23)18-6-7-22(32)31(13-18)14-25(2)8-9-25/h3-7,10-13,15H,8-9,14,26H2,1-2H3,(H2,27,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323369 (US9630956, Compound I-106) Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CC2C)c1 Show InChI InChI=1S/C25H26N6O2/c1-14-8-19(14)13-31-12-18(6-7-23(31)32)21-11-28-25(27)24(29-21)22-10-20(30-33-22)17-5-3-4-16(9-17)15(2)26/h3-7,9-12,14-15,19H,8,13,26H2,1-2H3,(H2,27,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323370 (US9630956, Compound I-107) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C1CCCC1 Show InChI InChI=1S/C25H26N6O2/c1-27-12-15-6-8-17(9-7-15)20-11-22(33-31-20)23-24(26)28-14-21(30-23)18-10-19(25(32)29-13-18)16-4-2-3-5-16/h6-11,13-14,16,27H,2-5,12H2,1H3,(H2,26,28)(H,29,32)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323371 (US9630956, Compound I-108) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C21H20N6O2/c1-23-10-13-3-5-14(6-4-13)16-9-18(29-26-16)20-21(22)24-11-17(25-20)15-7-8-19(28)27(2)12-15/h3-9,11-12,23H,10H2,1-2H3,(H2,22,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323372 (US9630956, Compound I-109) Show SMILES CCCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 Show InChI InChI=1S/C23H24N6O2/c1-3-10-29-14-17(8-9-21(29)30)19-13-26-23(24)22(27-19)20-11-18(28-31-20)16-6-4-15(5-7-16)12-25-2/h4-9,11,13-14,25H,3,10,12H2,1-2H3,(H2,24,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323373 (US9630956, Compound I-110) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)C1=CCC(=O)[N](CCO)=C1 |c:32,t:24| Show InChI InChI=1S/C22H23N6O3/c1-24-11-14-2-4-15(5-3-14)17-10-19(31-27-17)21-22(23)25-12-18(26-21)16-6-7-20(30)28(13-16)8-9-29/h2-6,10,12-13,24,29H,7-9,11H2,1H3,(H2,23,25)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323374 (5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]pheny...) Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C22H20N6O2/c23-22-21(27-18(12-26-22)15-5-8-20(29)25-11-15)19-9-17(28-30-19)14-3-1-13(2-4-14)10-24-16-6-7-16/h1-5,8-9,11-12,16,24H,6-7,10H2,(H2,23,26)(H,25,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323375 (US9630956, Compound I-112) Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1c[nH]c(=O)c(Cl)c1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-7-14(10-27-22(16)30)18-11-26-21(24)20(28-18)19-8-17(29-31-19)13-3-1-12(2-4-13)9-25-15-5-6-15/h1-4,7-8,10-11,15,25H,5-6,9H2,(H2,24,26)(H,27,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323376 (US9630956, Compound I-113) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2(C)COC2)c1 Show InChI InChI=1S/C25H26N6O3/c1-25(14-33-15-25)13-31-12-18(7-8-22(31)32)20-11-28-24(26)23(29-20)21-9-19(30-34-21)17-5-3-16(4-6-17)10-27-2/h3-9,11-12,27H,10,13-15H2,1-2H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323377 (US9630956, Compound I-114) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C1=CCCCC1 |t:32| Show InChI InChI=1S/C26H26N6O2/c1-28-13-16-7-9-18(10-8-16)21-12-23(34-32-21)24-25(27)29-15-22(31-24)19-11-20(26(33)30-14-19)17-5-3-2-4-6-17/h5,7-12,14-15,28H,2-4,6,13H2,1H3,(H2,27,29)(H,30,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323378 (US9630956, Compound I-115) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C1CCCCC1 Show InChI InChI=1S/C26H28N6O2/c1-28-13-16-7-9-18(10-8-16)21-12-23(34-32-21)24-25(27)29-15-22(31-24)19-11-20(26(33)30-14-19)17-5-3-2-4-6-17/h7-12,14-15,17,28H,2-6,13H2,1H3,(H2,27,29)(H,30,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323379 (US9630956, Compound I-116) Show SMILES CCCC(CC)c1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323380 (US9630956, Compound I-117) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(CO)CO Show InChI InChI=1S/C23H24N6O4/c1-25-9-14-2-4-15(5-3-14)18-8-20(33-28-18)22-23(24)26-10-19(27-22)16-6-7-21(32)29(11-16)17(12-30)13-31/h2-8,10-11,17,25,30-31H,9,12-13H2,1H3,(H2,24,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323381 (US9630956, Compound I-118) Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(OC(C)C)c1 Show InChI InChI=1S/C26H30N6O3/c1-15(2)32-14-18(7-9-24(32)33)21-13-29-26(27)25(30-21)23-11-20(31-35-23)19-8-6-17(12-28-5)10-22(19)34-16(3)4/h6-11,13-16,28H,12H2,1-5H3,(H2,27,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323382 (US9630956, Compound I-119) Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1c[nH]c(=O)c(c1)C1CCCC1 Show InChI InChI=1S/C27H28N6O2/c28-26-25(24-12-22(33-35-24)18-7-5-16(6-8-18)13-29-20-9-10-20)32-23(15-30-26)19-11-21(27(34)31-14-19)17-3-1-2-4-17/h5-8,11-12,14-15,17,20,29H,1-4,9-10,13H2,(H2,28,30)(H,31,34)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323383 (US9630956, Compound I-120) Show SMILES CCCC(CC)c1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1 Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323385 (US9630956, Compound I-122) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCC2CCCC2)c1 Show InChI InChI=1S/C27H30N6O2/c1-29-15-19-6-8-20(9-7-19)22-14-24(35-32-22)26-27(28)30-16-23(31-26)21-10-11-25(34)33(17-21)13-12-18-4-2-3-5-18/h6-11,14,16-18,29H,2-5,12-13,15H2,1H3,(H2,28,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323386 (3-[4-(methylaminomethyl)phenyl]isoxazol-5-yl]pyraz...) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)-c1ccccc1 Show InChI InChI=1S/C26H22N6O2/c1-28-13-16-7-9-18(10-8-16)21-12-23(34-32-21)24-25(27)29-15-22(31-24)19-11-20(26(33)30-14-19)17-5-3-2-4-6-17/h2-12,14-15,28H,13H2,1H3,(H2,27,29)(H,30,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323387 (US9630956, Compound I-124) Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCC(C)C1 Show InChI InChI=1S/C26H28N6O2/c1-15-6-8-20(10-15)32-14-19(7-9-24(32)33)22-13-29-26(28)25(30-22)23-12-21(31-34-23)18-5-3-4-17(11-18)16(2)27/h3-5,7,9,11-16,20H,6,8,10,27H2,1-2H3,(H2,28,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323388 (US9630956, Compound I-125) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)(C)C#N Show InChI InChI=1S/C24H23N7O2/c1-24(2,14-25)31-13-17(8-9-21(31)32)19-12-28-23(26)22(29-19)20-10-18(30-33-20)16-6-4-15(5-7-16)11-27-3/h4-10,12-13,27H,11H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323389 (US9630956, Compound I-126) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNCCF)cc1 Show InChI InChI=1S/C26H29FN6O2/c1-3-20(4-2)33-16-19(9-10-24(33)34)22-15-30-26(28)25(31-22)23-13-21(32-35-23)18-7-5-17(6-8-18)14-29-12-11-27/h5-10,13,15-16,20,29H,3-4,11-12,14H2,1-2H3,(H2,28,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323390 (US9630956, Compound I-127) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC(F)(F)C2)cc1 Show InChI InChI=1S/C28H30F2N6O2/c1-3-21(4-2)36-16-19(9-10-25(36)37)23-15-33-27(31)26(34-23)24-11-22(35-38-24)18-7-5-17(6-8-18)14-32-20-12-28(29,30)13-20/h5-11,15-16,20-21,32H,3-4,12-14H2,1-2H3,(H2,31,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323399 (US9630956, Compound I-136) Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1F Show InChI InChI=1S/C28H28FN7O2/c1-3-28(4-2,16-30)36-15-18(6-10-25(36)37)23-14-33-27(31)26(34-23)24-12-22(35-38-24)20-9-5-17(11-21(20)29)13-32-19-7-8-19/h5-6,9-12,14-15,19,32H,3-4,7-8,13H2,1-2H3,(H2,31,33)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323401 (US9630956, Compound I-138 | US9630956, Compound I-...) Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)[C@@H](C)N |r| Show InChI InChI=1S/C26H27N7O2/c1-4-26(5-2,15-27)33-14-19(9-10-23(33)34)21-13-30-25(29)24(31-21)22-12-20(32-35-22)18-8-6-7-17(11-18)16(3)28/h6-14,16H,4-5,28H2,1-3H3,(H2,29,30)/t16-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323401 (US9630956, Compound I-138 | US9630956, Compound I-...) Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)[C@@H](C)N |r| Show InChI InChI=1S/C26H27N7O2/c1-4-26(5-2,15-27)33-14-19(9-10-23(33)34)21-13-30-25(29)24(31-21)22-12-20(32-35-22)18-8-6-7-17(11-18)16(3)28/h6-14,16H,4-5,28H2,1-3H3,(H2,29,30)/t16-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323403 (US9630956, Compound I-140) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2(C)CC2)cc1 Show InChI InChI=1S/C28H32N6O2/c1-4-21(5-2)34-17-20(10-11-25(34)35)23-16-30-27(29)26(32-23)24-14-22(33-36-24)19-8-6-18(7-9-19)15-31-28(3)12-13-28/h6-11,14,16-17,21,31H,4-5,12-13,15H2,1-3H3,(H2,29,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323404 (US9630956, Compound I-141) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(F)c(c1)C(C)N Show InChI InChI=1S/C25H27FN6O2/c1-4-17(5-2)32-13-16(7-9-23(32)33)21-12-29-25(28)24(30-21)22-11-20(31-34-22)15-6-8-19(26)18(10-15)14(3)27/h6-14,17H,4-5,27H2,1-3H3,(H2,28,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323405 (US9630956, Compound I-142) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(C(C)N)c1F Show InChI InChI=1S/C25H27FN6O2/c1-4-16(5-2)32-13-15(9-10-22(32)33)20-12-29-25(28)24(30-20)21-11-19(31-34-21)18-8-6-7-17(14(3)27)23(18)26/h6-14,16H,4-5,27H2,1-3H3,(H2,28,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323406 (US9630956, Compound I-143) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1(CCCC1)C#N Show InChI InChI=1S/C26H25N7O2/c1-29-13-17-4-6-18(7-5-17)20-12-22(35-32-20)24-25(28)30-14-21(31-24)19-8-9-23(34)33(15-19)26(16-27)10-2-3-11-26/h4-9,12,14-15,29H,2-3,10-11,13H2,1H3,(H2,28,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323407 (US9630956, Compound I-144) Show SMILES CC(C)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1 Show InChI InChI=1S/C26H25N7O2/c1-26(2,15-27)33-14-18(7-10-23(33)34)21-13-30-25(28)24(31-21)22-11-20(32-35-22)17-5-3-16(4-6-17)12-29-19-8-9-19/h3-7,10-11,13-14,19,29H,8-9,12H2,1-2H3,(H2,28,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323408 (US9630956, Compound I-145) Show SMILES CC(C)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CCOC2)cc1 Show InChI InChI=1S/C27H27N7O3/c1-27(2,16-28)34-14-19(7-8-24(34)35)22-13-31-26(29)25(32-22)23-11-21(33-37-23)18-5-3-17(4-6-18)12-30-20-9-10-36-15-20/h3-8,11,13-14,20,30H,9-10,12,15H2,1-2H3,(H2,29,31)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323409 (US9630956, Compound I-146) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)C(C)(C)N Show InChI InChI=1S/C26H30N6O2/c1-5-19(6-2)32-15-17(10-11-23(32)33)21-14-29-25(27)24(30-21)22-13-20(31-34-22)16-8-7-9-18(12-16)26(3,4)28/h7-15,19H,5-6,28H2,1-4H3,(H2,27,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323410 (US9630956, Compound I-147) Show SMILES CC(CO)NCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)(C)C#N Show InChI InChI=1S/C26H27N7O3/c1-16(14-34)29-11-17-4-6-18(7-5-17)20-10-22(36-32-20)24-25(28)30-12-21(31-24)19-8-9-23(35)33(13-19)26(2,3)15-27/h4-10,12-13,16,29,34H,11,14H2,1-3H3,(H2,28,30)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323411 (US9630956, Compound I-148) Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C19H17N7O2/c1-21-8-11-2-4-12(5-3-11)18-25-26-19(28-18)16-17(20)23-10-14(24-16)13-6-7-15(27)22-9-13/h2-7,9-10,21H,8H2,1H3,(H2,20,23)(H,22,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323277 (US9630956, Compound I-15) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C#N Show InChI InChI=1S/C23H21N7O2/c1-14(10-24)30-13-17(7-8-21(30)31)19-12-27-23(25)22(28-19)20-9-18(29-32-20)16-5-3-15(4-6-16)11-26-2/h3-9,12-14,26H,11H2,1-2H3,(H2,25,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323317 (US9630956, Compound I-54) Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C2CC2)c(F)c1 Show InChI InChI=1S/C25H25FN6O2/c1-14(16-4-5-16)32-13-17(6-8-23(32)33)21-12-29-25(27)24(30-21)22-10-20(31-34-22)18-7-3-15(11-28-2)9-19(18)26/h3,6-10,12-14,16,28H,4-5,11H2,1-2H3,(H2,27,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	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 US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair

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