Compile Data Set for Download or QSAR

Found 2201 hits with Last Name = 'young' and Initial = 'c'   

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
Inositol phosphorylceramide synthase (Candida albicans)	BDBM50408926 (Aureobasidin A | CHEMBL1793802) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC |r| Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corp. Curated by ChEMBL					Assay Description Inhibition of Candida albicans ATCC 38247 inositol phosphorylceramide synthase preincubated for 30 mins				Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5
					More data for this Ligand-Target Pair
Inositol phosphorylceramide synthase catalytic subunit AUR1 (Saccharomyces cerevisiae S288c)	BDBM50408926 (Aureobasidin A | CHEMBL1793802) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC |r| Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corp. Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae SJ21R inositol phosphorylceramide synthase preincubated for 30 mins				Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5
					More data for this Ligand-Target Pair
Inositol phosphorylceramide synthase (Candida albicans)	BDBM50333121 (CHEMBL1631582 | Khafrefungin) Show SMILES CCCCCCCCCC[C@H](C)[C@@H](O)[C@@H](C)C=C(C)C=C(C)C(=O)[C@H](C)C=C(C)C(=O)O[C@H](CO)[C@@H](O)[C@H](O)C(O)=O |r,w:19.18,17.17,27.27| Show InChI InChI=1S/C33H56O9/c1-8-9-10-11-12-13-14-15-16-22(3)28(35)23(4)17-21(2)18-24(5)29(36)25(6)19-26(7)33(41)42-27(20-34)30(37)31(38)32(39)40/h17-19,22-23,25,27-28,30-31,34-35,37-38H,8-16,20H2,1-7H3,(H,39,40)/t22-,23-,25+,27+,28+,30+,31-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corp. Curated by ChEMBL					Assay Description Inhibition of Candida albicans ATCC 38247 inositol phosphorylceramide synthase preincubated for 30 mins				Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM97372 (US20130089624, 1) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@@H]1COCCN1 |r| Show InChI InChI=1S/C26H27N5O4S/c1-16(2)36(32,33)20-9-7-18(8-10-20)22-14-29-26(27)25(30-22)24-13-21(31-35-24)17-3-5-19(6-4-17)23-15-34-12-11-28-23/h3-10,13-14,16,23,28H,11-12,15H2,1-2H3,(H2,27,29)/t23-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.503	-53.1	200	n/a	n/a	n/a	n/a	7.5	25
Vertex Pharmaceuticals US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay.				US Patent US20130089624 (2013) BindingDB Entry DOI: 10.7270/Q2PZ57DN
					More data for this Ligand-Target Pair
Inositol phosphorylceramide synthase (Candida albicans)	BDBM50408926 (Aureobasidin A | CHEMBL1793802) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC |r| Show InChI InChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corp. Curated by ChEMBL					Assay Description Inhibition of Candida albicans inositol phosphorylceramide synthase				Antimicrob Agents Chemother 53: 496-504 (2009) Article DOI: 10.1128/AAC.00633-08 BindingDB Entry DOI: 10.7270/Q27H1JV5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50084617 (((7-carbamimidoyl-naphthalen-2-ylmethyl)-{4-[1-(1-...) Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1ccc2ccc(cc2c1)C(N)=N)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Protherics Molecular Design Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor Xa (fXa)				J Med Chem 45: 1221-32 (2002) BindingDB Entry DOI: 10.7270/Q2319V5W
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323335 (US9630956, Compound I-72) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CC2C)c1 Show InChI InChI=1S/C25H26N6O2/c1-15-9-19(15)14-31-13-18(7-8-23(31)32)21-12-28-25(26)24(29-21)22-10-20(30-33-22)17-5-3-16(4-6-17)11-27-2/h3-8,10,12-13,15,19,27H,9,11,14H2,1-2H3,(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))	BDBM323336 (US9630956, Compound I-73) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CCC#N)c1 Show InChI InChI=1S/C23H21N7O2/c1-26-12-15-3-5-16(6-4-15)18-11-20(32-29-18)22-23(25)27-13-19(28-22)17-7-8-21(31)30(14-17)10-2-9-24/h3-8,11,13-14,26H,2,10,12H2,1H3,(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))	BDBM323337 (US9630956, Compound I-74) Show SMILES CCC(Cn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1)OC Show InChI InChI=1S/C25H28N6O3/c1-4-19(33-3)15-31-14-18(9-10-23(31)32)21-13-28-25(26)24(29-21)22-11-20(30-34-22)17-7-5-16(6-8-17)12-27-2/h5-11,13-14,19,27H,4,12,15H2,1-3H3,(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))	BDBM323340 (US9630956, Compound I-77) Show SMILES CC[C@H](C)CCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 |r| Show InChI InChI=1S/C26H30N6O2/c1-4-17(2)11-12-32-16-20(9-10-24(32)33)22-15-29-26(27)25(30-22)23-13-21(31-34-23)19-7-5-18(6-8-19)14-28-3/h5-10,13,15-17,28H,4,11-12,14H2,1-3H3,(H2,27,29)/t17-/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))	BDBM323342 (US9630956, Compound I-79) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C1CC1 Show InChI InChI=1S/C25H26N6O2/c1-15(17-7-8-17)31-14-19(9-10-23(31)32)21-13-28-25(26)24(29-21)22-11-20(30-33-22)18-5-3-16(4-6-18)12-27-2/h3-6,9-11,13-15,17,27H,7-8,12H2,1-2H3,(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))	BDBM323343 (US9630956, Compound I-80) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2(CO)CC2)c1 Show InChI InChI=1S/C25H26N6O3/c1-27-11-16-2-4-17(5-3-16)19-10-21(34-30-19)23-24(26)28-12-20(29-23)18-6-7-22(33)31(13-18)14-25(15-32)8-9-25/h2-7,10,12-13,27,32H,8-9,11,14-15H2,1H3,(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))	BDBM323344 (US9630956, Compound I-81) Show SMILES CCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 Show InChI InChI=1S/C22H22N6O2/c1-3-28-13-16(8-9-20(28)29)18-12-25-22(23)21(26-18)19-10-17(27-30-19)15-6-4-14(5-7-15)11-24-2/h4-10,12-13,24H,3,11H2,1-2H3,(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))	BDBM323345 (US9630956, Compound I-82) Show SMILES CCC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 Show InChI InChI=1S/C24H26N6O2/c1-4-15(2)30-14-18(9-10-22(30)31)20-13-27-24(25)23(28-20)21-11-19(29-32-21)17-7-5-16(6-8-17)12-26-3/h5-11,13-15,26H,4,12H2,1-3H3,(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))	BDBM323346 (US9630956, Compound I-83) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 Show InChI InChI=1S/C25H28N6O2/c1-4-19(5-2)31-15-18(10-11-23(31)32)21-14-28-25(26)24(29-21)22-12-20(30-33-22)17-8-6-16(7-9-17)13-27-3/h6-12,14-15,19,27H,4-5,13H2,1-3H3,(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))	BDBM323347 (US9630956, Compound I-84) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(Cc2nccs2)c1 Show InChI InChI=1S/C24H21N7O2S/c1-26-11-15-2-4-16(5-3-15)18-10-20(33-30-18)23-24(25)28-12-19(29-23)17-6-7-22(32)31(13-17)14-21-27-8-9-34-21/h2-10,12-13,26H,11,14H2,1H3,(H2,25,28)	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))	BDBM323348 (US9630956, Compound I-85) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(Cc2nccn2C)c1 Show InChI InChI=1S/C25H24N8O2/c1-27-12-16-3-5-17(6-4-16)19-11-21(35-31-19)24-25(26)29-13-20(30-24)18-7-8-23(34)33(14-18)15-22-28-9-10-32(22)2/h3-11,13-14,27H,12,15H2,1-2H3,(H2,26,29)	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))	BDBM323350 (US9630956, Compound I-87) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(CC2CCCCO2)c1 Show InChI InChI=1S/C26H28N6O3/c1-28-13-17-5-7-18(8-6-17)21-12-23(35-31-21)25-26(27)29-14-22(30-25)19-9-10-24(33)32(15-19)16-20-4-2-3-11-34-20/h5-10,12,14-15,20,28H,2-4,11,13,16H2,1H3,(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))	BDBM323351 (US9630956, Compound I-88) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(CO)c1 Show InChI InChI=1S/C21H20N6O3/c1-23-8-12-2-4-13(5-3-12)16-7-18(30-27-16)19-20(22)24-10-17(26-19)14-6-15(11-28)21(29)25-9-14/h2-7,9-10,23,28H,8,11H2,1H3,(H2,22,24)(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))	BDBM323352 (US9630956, Compound I-89) Show SMILES CCc1cc(c[nH]c1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 Show InChI InChI=1S/C22H22N6O2/c1-3-14-8-16(11-26-22(14)29)18-12-25-21(23)20(27-18)19-9-17(28-30-19)15-6-4-13(5-7-15)10-24-2/h4-9,11-12,24H,3,10H2,1-2H3,(H2,23,25)(H,26,29)	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))	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))	BDBM323391 (US9630956, Compound I-128) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1F Show InChI InChI=1S/C27H29FN6O2/c1-3-19(4-2)34-15-17(6-10-25(34)35)23-14-31-27(29)26(32-23)24-12-22(33-36-24)20-9-5-16(11-21(20)28)13-30-18-7-8-18/h5-6,9-12,14-15,18-19,30H,3-4,7-8,13H2,1-2H3,(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))	BDBM323392 (US9630956, Compound I-129) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1F Show InChI InChI=1S/C25H27FN6O2/c1-4-17(5-2)32-14-16(7-9-23(32)33)21-13-29-25(27)24(30-21)22-11-20(31-34-22)18-8-6-15(12-28-3)10-19(18)26/h6-11,13-14,17,28H,4-5,12H2,1-3H3,(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))	BDBM323393 (US9630956, Compound I-130) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@@H]2CCC(F)C2)cc1 |r| Show InChI InChI=1S/C29H33FN6O2/c1-3-23(4-2)36-17-20(9-12-27(36)37)25-16-33-29(31)28(34-25)26-14-24(35-38-26)19-7-5-18(6-8-19)15-32-22-11-10-21(30)13-22/h5-9,12,14,16-17,21-23,32H,3-4,10-11,13,15H2,1-2H3,(H2,31,33)/t21?,22-/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))	BDBM323394 (US9630956, Compound I-131) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1cccc(c1)C(N)CF Show InChI InChI=1S/C25H27FN6O2/c1-3-18(4-2)32-14-17(8-9-23(32)33)21-13-29-25(28)24(30-21)22-11-20(31-34-22)16-7-5-6-15(10-16)19(27)12-26/h5-11,13-14,18-19H,3-4,12,27H2,1-2H3,(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))	BDBM323268 (US9630956, Compound I-6) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(OC)c1 Show InChI InChI=1S/C23H25N7O3/c1-13(2)30-12-15(6-8-19(30)31)17-11-26-21(24)20(27-17)23-29-28-22(33-23)16-7-5-14(10-25-3)9-18(16)32-4/h5-9,11-13,25H,10H2,1-4H3,(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))	BDBM323272 (US9630956, Compound I-10) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(F)c1 Show InChI InChI=1S/C22H22FN7O2/c1-12(2)30-11-14(5-7-18(30)31)17-10-26-20(24)19(27-17)22-29-28-21(32-22)15-6-4-13(9-25-3)8-16(15)23/h4-8,10-12,25H,9H2,1-3H3,(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))	BDBM323273 (US9630956, Compound I-11) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C(C)C Show InChI InChI=1S/C23H24N6O2/c1-14(2)29-13-17(8-9-21(29)30)19-12-26-23(24)22(27-19)20-10-18(28-31-20)16-6-4-15(5-7-16)11-25-3/h4-10,12-14,25H,11H2,1-3H3,(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))	BDBM323274 (US9630956, Compound I-12) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(C)c1 Show InChI InChI=1S/C23H25N7O2/c1-13(2)30-12-16(6-8-19(30)31)18-11-26-21(24)20(27-18)23-29-28-22(32-23)17-7-5-15(10-25-4)9-14(17)3/h5-9,11-13,25H,10H2,1-4H3,(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))	BDBM323275 (US9630956, Compound I-13) Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN[C@H]2CCOC2)cc1C |r| Show InChI InChI=1S/C26H29N7O3/c1-15(2)33-13-18(5-7-22(33)34)21-12-29-24(27)23(30-21)26-32-31-25(36-26)20-6-4-17(10-16(20)3)11-28-19-8-9-35-14-19/h4-7,10,12-13,15,19,28H,8-9,11,14H2,1-3H3,(H2,27,29)/t19-/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))	BDBM323276 (US9630956, Compound I-14) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C2CCCC2)c(C)c1 Show InChI InChI=1S/C25H27N7O2/c1-15-11-16(12-27-2)7-9-19(15)24-30-31-25(34-24)22-23(26)28-13-20(29-22)17-8-10-21(33)32(14-17)18-5-3-4-6-18/h7-11,13-14,18,27H,3-6,12H2,1-2H3,(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))	BDBM323279 (US9630956, Compound I-16) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C#N)c(C)c1 Show InChI InChI=1S/C23H22N8O2/c1-13-8-15(10-26-3)4-6-17(13)22-29-30-23(33-22)20-21(25)27-11-18(28-20)16-5-7-19(32)31(12-16)14(2)9-24/h4-8,11-12,14,26H,10H2,1-3H3,(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))	BDBM323280 (US9630956, Compound I-17) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)COC)c(C)c1 Show InChI InChI=1S/C24H27N7O3/c1-14-9-16(10-26-3)5-7-18(14)23-29-30-24(34-23)21-22(25)27-11-19(28-21)17-6-8-20(32)31(12-17)15(2)13-33-4/h5-9,11-12,15,26H,10,13H2,1-4H3,(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))	BDBM323281 (US9630956, Compound I-18) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C2CC2)c(C)c1 Show InChI InChI=1S/C25H27N7O2/c1-14-10-16(11-27-3)4-8-19(14)24-30-31-25(34-24)22-23(26)28-12-20(29-22)18-7-9-21(33)32(13-18)15(2)17-5-6-17/h4,7-10,12-13,15,17,27H,5-6,11H2,1-3H3,(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))	BDBM323282 (US9630956, Compound I-19) Show SMILES CCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1OC Show InChI InChI=1S/C22H23N7O3/c1-4-29-12-14(6-8-18(29)30)16-11-25-20(23)19(26-16)22-28-27-21(32-22)15-7-5-13(10-24-2)9-17(15)31-3/h5-9,11-12,24H,4,10H2,1-3H3,(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))	BDBM323283 (US9630956, Compound I-20) Show SMILES CC(C)NCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C)c(C)c1 Show InChI InChI=1S/C25H29N7O2/c1-14(2)27-11-17-6-8-19(16(5)10-17)24-30-31-25(34-24)22-23(26)28-12-20(29-22)18-7-9-21(33)32(13-18)15(3)4/h6-10,12-15,27H,11H2,1-5H3,(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))	BDBM323284 (US9630956, Compound I-21) Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC(C)(C)C)cc1C Show InChI InChI=1S/C26H31N7O2/c1-15(2)33-14-18(8-10-21(33)34)20-13-28-23(27)22(30-20)25-32-31-24(35-25)19-9-7-17(11-16(19)3)12-29-26(4,5)6/h7-11,13-15,29H,12H2,1-6H3,(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))	BDBM323285 (US9630956, Compound I-22) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCC(C)C1 Show InChI InChI=1S/C26H28N6O2/c1-16-3-9-20(11-16)32-15-19(8-10-24(32)33)22-14-29-26(27)25(30-22)23-12-21(31-34-23)18-6-4-17(5-7-18)13-28-2/h4-8,10,12,14-16,20,28H,3,9,11,13H2,1-2H3,(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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323286 (US9630956, Compound I-23 | US9630956, Compound I-5...) Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@H]2CCOC2)cc1 |r| Show InChI InChI=1S/C26H28N6O3/c1-16(2)32-14-19(7-8-24(32)33)22-13-29-26(27)25(30-22)23-11-21(31-35-23)18-5-3-17(4-6-18)12-28-20-9-10-34-15-20/h3-8,11,13-14,16,20,28H,9-10,12,15H2,1-2H3,(H2,27,29)/t20-/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))	BDBM323288 (US9630956, Compound I-25) Show SMILES CCC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CNC)cc1OC Show InChI InChI=1S/C24H27N7O3/c1-5-14(2)31-13-16(7-9-20(31)32)18-12-27-22(25)21(28-18)24-30-29-23(34-24)17-8-6-15(11-26-3)10-19(17)33-4/h6-10,12-14,26H,5,11H2,1-4H3,(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

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