Compile Data Set for Download or QSAR

Found 487 hits with Last Name = 'blades' and Initial = 'k'   

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 PAK 1 (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50201648 (CHEMBL3950903) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2F)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C32H36F2N6O3S/c1-4-44(42,43)30-18-25(11-12-28(30)39-15-13-38(3)14-16-39)36-32-35-19-27(34)31(37-32)40(20-24-7-5-6-8-26(24)33)29-17-23(21-41)10-9-22(29)2/h5-12,17-19,41H,4,13-16,20-21H2,1-3H3,(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50201651 (CHEMBL3896232) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C27H35FN6O3S/c1-6-38(36,37)25-15-21(7-8-23(25)34-11-9-32(4)10-12-34)30-27-29-16-22(28)26(31-27)33(5)24-14-20(17-35)18(2)13-19(24)3/h7-8,13-16,35H,6,9-12,17H2,1-5H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50201654 (CHEMBL3964858) Show SMILES [H][C@]12CN(c3ccc(Nc4ncc(F)c(n4)N(C)c4cc(CO)c(C)cc4C)cc3S(=O)(=O)CC)[C@]([H])(CN1C)C2 |r| Show InChI InChI=1S/C28H35FN6O3S/c1-6-39(37,38)26-11-20(7-8-24(26)35-15-21-12-22(35)14-33(21)4)31-28-30-13-23(29)27(32-28)34(5)25-10-19(16-36)17(2)9-18(25)3/h7-11,13,21-22,36H,6,12,14-16H2,1-5H3,(H,30,31,32)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal FLAG-tagged recombinant human PAK1 (150-end residues) expressed in baculovirus expression system				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468005 (CHEMBL4288033) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2ccccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H24N6O3S/c1-13-12-29-10-9-25(13)17-11-16(20(7-8-20)30(2,27)28)23-19(24-17)26-15-6-4-3-5-14(15)22-18(26)21/h3-6,11,13H,7-10,12H2,1-2H3,(H2,21,22)/t13-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246406 (2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)ncc1F Show InChI InChI=1S/C24H29F2N7O/c1-14(2)33-15(3)27-13-21(33)22-20(26)12-28-24(31-22)30-17-5-6-18(19(25)11-17)23(34)29-16-7-9-32(4)10-8-16/h5-6,11-14,16H,7-10H2,1-4H3,(H,29,34)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50072961 (CHEMBL3410672) Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1ccc(NC(=S)NCCO)cc1)C1(CC1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s...				J Med Chem 58: 2326-49 (2015) Article DOI: 10.1021/jm501778s BindingDB Entry DOI: 10.7270/Q2DF6SW8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50201649 (CHEMBL3914181) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C32H37FN6O3S/c1-4-43(41,42)30-19-26(12-13-28(30)38-16-14-37(3)15-17-38)35-32-34-20-27(33)31(36-32)39(21-24-8-6-5-7-9-24)29-18-25(22-40)11-10-23(29)2/h5-13,18-20,40H,4,14-17,21-22H2,1-3H3,(H,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468003 (CHEMBL4281240) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23N5O3S/c1-13-12-28-8-7-25(13)18-9-17(20(4-5-20)29(2,26)27)23-19(24-18)15-10-21-11-16-14(15)3-6-22-16/h3,6,9-11,13,22H,4-5,7-8,12H2,1-2H3/t13-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246447 (2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)N(C)C)c(F)c2)ncc1F Show InChI InChI=1S/C20H22F2N6O/c1-11(2)28-12(3)23-10-17(28)18-16(22)9-24-20(26-18)25-13-6-7-14(15(21)8-13)19(29)27(4)5/h6-11H,1-5H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50201642 (CHEMBL3942173) Show SMILES CCN(c1cc(CO)ccc1C)c1nc(Nc2ccc(N3CCN(C)CC3)c(c2)S(=O)(=O)CC)ncc1F Show InChI InChI=1S/C27H35FN6O3S/c1-5-34(24-15-20(18-35)8-7-19(24)3)26-22(28)17-29-27(31-26)30-21-9-10-23(25(16-21)38(36,37)6-2)33-13-11-32(4)12-14-33/h7-10,15-17,35H,5-6,11-14,18H2,1-4H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246350 (4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N(C)C)ncc1F Show InChI InChI=1S/C20H23FN6O/c1-12(2)27-13(3)22-11-17(27)18-16(21)10-23-20(25-18)24-15-8-6-14(7-9-15)19(28)26(4)5/h6-12H,1-5H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246301 (4-(4-(1-cyclopentyl-2-methyl-1H-imidazol-5-yl)pyri...) Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1 Show InChI InChI=1S/C21H24N6O/c1-14-24-13-19(27(14)17-5-3-4-6-17)18-11-12-23-21(26-18)25-16-9-7-15(8-10-16)20(28)22-2/h7-13,17H,3-6H2,1-2H3,(H,22,28)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468009 (CHEMBL4286105) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cc(F)ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23FN6O3S/c1-12-11-30-8-7-26(12)17-10-16(20(5-6-20)31(2,28)29)24-19(25-17)27-15-4-3-13(21)9-14(15)23-18(27)22/h3-4,9-10,12H,5-8,11H2,1-2H3,(H2,22,23)/t12-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468002 (CHEMBL4291436) Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C21H26N6O3S/c1-14-13-30-11-10-26(14)18-12-17(21(8-9-21)31(3,28)29)24-20(25-18)27-16-7-5-4-6-15(16)23-19(27)22-2/h4-7,12,14H,8-11,13H2,1-3H3,(H,22,23)/t14-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50246408 ((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...) Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 |r| Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50245864 (CHEMBL462385 | N-(2-(dimethylamino)ethyl)-2-fluoro...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)ncc1F Show InChI InChI=1S/C22H27F2N7O/c1-13(2)31-14(3)26-12-19(31)20-18(24)11-27-22(29-20)28-15-6-7-16(17(23)10-15)21(32)25-8-9-30(4)5/h6-7,10-13H,8-9H2,1-5H3,(H,25,32)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50245865 (((S)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F |r| Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50245910 ((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F Show InChI InChI=1S/C24H30FN7O/c1-16(2)32-17(3)26-15-21(32)22-20(25)14-27-24(29-22)28-19-8-6-18(7-9-19)23(33)31-11-5-10-30(4)12-13-31/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50245913 ((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...) Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r| Show InChI InChI=1S/C23H29N7O/c1-15(2)30-16(3)26-13-21(30)20-9-11-25-23(28-20)27-18-7-5-17(6-8-18)22(31)29-12-10-19(14-29)24-4/h5-9,11,13,15,19,24H,10,12,14H2,1-4H3,(H,25,27,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246408 ((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...) Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 |r| Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246298 (CHEMBL487067 | N-(2-hydroxyethyl)-4-(4-(1-isopropy...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NCCO)n1 Show InChI InChI=1S/C20H24N6O2/c1-13(2)26-14(3)23-12-18(26)17-8-9-22-20(25-17)24-16-6-4-15(5-7-16)19(28)21-10-11-27/h4-9,12-13,27H,10-11H2,1-3H3,(H,21,28)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50201655 (CHEMBL3924245) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H33FN6O3S/c1-5-37(35,36)24-15-20(8-9-22(24)33-12-10-31(3)11-13-33)29-26-28-16-21(27)25(30-26)32(4)23-14-19(17-34)7-6-18(23)2/h6-9,14-16,34H,5,10-13,17H2,1-4H3,(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50112347 (CHEMBL3609327 | FRAX597) Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2ccc(cc2Cl)-c2cncs2)c1=O Show InChI InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50201650 (CHEMBL3933198) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(C)c2cc(CO)c(C)cc2C)cc(c1)N1CCOCC1 Show InChI InChI=1S/C26H32FN5O4S/c1-5-37(34,35)22-13-20(12-21(14-22)32-6-8-36-9-7-32)29-26-28-15-23(27)25(30-26)31(4)24-11-19(16-33)17(2)10-18(24)3/h10-15,33H,5-9,16H2,1-4H3,(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 1 (Homo sapiens (Human))	BDBM50201644 (CHEMBL3910608) Show SMILES CN(c1cc(CO)c(C)cc1C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F Show InChI InChI=1S/C25H30FN5O4S/c1-16-9-17(2)23(10-18(16)15-32)30(3)24-22(26)14-27-25(29-24)28-19-11-20(31-5-7-35-8-6-31)13-21(12-19)36(4,33)34/h9-14,32H,5-8,15H2,1-4H3,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin) by ATP-kinaseGlo assay				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468017 (CHEMBL4291783) Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-n1c(N)nc2ccccc12)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-29(26,27)19(6-7-19)15-12-16(24-8-10-28-11-9-24)23-18(22-15)25-14-5-3-2-4-13(14)21-17(25)20/h2-5,12H,6-11H2,1H3,(H2,20,21)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246407 (CHEMBL453629 | N-(2-(dimethylamino)ethyl)-2-fluoro...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)n1 Show InChI InChI=1S/C22H28FN7O/c1-14(2)30-15(3)26-13-20(30)19-8-9-25-22(28-19)27-16-6-7-17(18(23)12-16)21(31)24-10-11-29(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,24,31)(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427322 (CHEMBL2325703) Show SMILES CC(C)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O Show InChI InChI=1S/C20H24N4O3S/c1-20(2,28(3,25)26)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-5-4-6-16-14(15)7-8-21-16/h4-8,13,21H,9-12H2,1-3H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246255 (4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...) Show SMILES CNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C19H22N6O/c1-12(2)25-13(3)22-11-17(25)16-9-10-21-19(24-16)23-15-7-5-14(6-8-15)18(26)20-4/h5-12H,1-4H3,(H,20,26)(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246349 (4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...) Show SMILES CNC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C19H21FN6O/c1-11(2)26-12(3)22-10-16(26)17-15(20)9-23-19(25-17)24-14-7-5-13(6-8-14)18(27)21-4/h5-11H,1-4H3,(H,21,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246254 (4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(N)=O)n1 Show InChI InChI=1S/C18H20N6O/c1-11(2)24-12(3)21-10-16(24)15-8-9-20-18(23-15)22-14-6-4-13(5-7-14)17(19)25/h4-11H,1-3H3,(H2,19,25)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged full length recombinant human YES expressed in baculovirus expression system				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427320 (CHEMBL2325705) Show SMILES CS(=O)(=O)C1(CCOCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H26N4O4S/c1-31(27,28)22(6-11-29-12-7-22)19-15-20(26-9-13-30-14-10-26)25-21(24-19)17-3-2-4-18-16(17)5-8-23-18/h2-5,8,15,23H,6-7,9-14H2,1H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50245911 ((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...) Show SMILES CCCN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r| Show InChI InChI=1S/C26H35N7O/c1-6-14-31(5)22-12-15-32(17-22)25(34)20-7-9-21(10-8-20)29-26-27-13-11-23(30-26)24-16-28-19(4)33(24)18(2)3/h7-11,13,16,18,22H,6,12,14-15,17H2,1-5H3,(H,27,29,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM60432 (BDBM50468001 | US11236089, Compound AZD-6738 | US8...) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O |r| Show InChI InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427326 (CHEMBL2325697) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468021 (CHEMBL4278556) Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cncc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C19H21N5O3S/c1-28(25,26)19(3-4-19)16-10-17(24-6-8-27-9-7-24)23-18(22-16)14-11-20-12-15-13(14)2-5-21-15/h2,5,10-12,21H,3-4,6-9H2,1H3	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468004 (CHEMBL4286472) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23N5O3S/c1-13-12-28-10-9-25(13)17-11-16(20(5-6-20)29(2,26)27)23-19(24-17)15-4-8-22-18-14(15)3-7-21-18/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,22)/t13-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427314 (CHEMBL2325711) Show SMILES O=S(=O)(c1ccccc1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C25H24N4O3S/c30-33(31,18-5-2-1-3-6-18)25(10-11-25)22-17-23(29-13-15-32-16-14-29)28-24(27-22)20-7-4-8-21-19(20)9-12-26-21/h1-9,12,17,26H,10-11,13-16H2	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427326 (CHEMBL2325697) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ...				J Med Chem 56: 2125-38 (2013) Article DOI: 10.1021/jm301859s BindingDB Entry DOI: 10.7270/Q2VH5Q5C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50245910 ((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F Show InChI InChI=1S/C24H30FN7O/c1-16(2)32-17(3)26-15-21(32)22-20(25)14-27-24(29-22)28-19-8-6-18(7-9-19)23(33)31-11-5-10-30(4)12-13-31/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50072963 (CHEMBL3410548) Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)NCCO)cc1 |r| Show InChI InChI=1S/C20H27N5O5S/c1-14-12-30-10-8-25(14)18-11-17(13-31(2,28)29)22-19(24-18)15-3-5-16(6-4-15)23-20(27)21-7-9-26/h3-6,11,14,26H,7-10,12-13H2,1-2H3,(H2,21,23,27)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s...				J Med Chem 58: 2326-49 (2015) Article DOI: 10.1021/jm501778s BindingDB Entry DOI: 10.7270/Q2DF6SW8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal 6His-tagged recombinant human PAK2 (3-end residues) expressed in Escherichia coli				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM103467 (US8552004, 2.03) Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C21H27N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(8-9-21)31(3,22)29)25-20(26-18)28-16-7-5-4-6-15(16)24-19(28)23-2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H2,22,29)(H,23,24)/t14-,31?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246397 (2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)N(C)C)c(F)c2)n1 Show InChI InChI=1S/C20H23FN6O/c1-12(2)27-13(3)23-11-18(27)17-8-9-22-20(25-17)24-14-6-7-15(16(21)10-14)19(28)26(4)5/h6-12H,1-5H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6486-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.075 BindingDB Entry DOI: 10.7270/Q23N2377
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50245866 (((R)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...) Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@H](C2)N(C)C)ncc1F |r| Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem Lett 18: 6369-73 (2008) Article DOI: 10.1016/j.bmcl.2008.10.102 BindingDB Entry DOI: 10.7270/Q2XW4JNM
					More data for this Ligand-Target Pair
Protein kinase C theta type (Homo sapiens (Human))	BDBM50201641 (CHEMBL3923175) Show SMILES CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C33H36FN7O3S/c1-4-45(43,44)31-18-27(11-12-29(31)40-15-13-39(3)14-16-40)37-33-36-20-28(34)32(38-33)41(21-26-8-6-5-7-25(26)19-35)30-17-24(22-42)10-9-23(30)2/h5-12,17-18,20,42H,4,13-16,21-22H2,1-3H3,(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminal 6His-tagged recombinant full length human PKCtheta expressed in fall armyworm Sf21 cells				ACS Med Chem Lett 7: 1118-1123 (2016) Article DOI: 10.1021/acsmedchemlett.6b00322 BindingDB Entry DOI: 10.7270/Q2PV6NCH
					More data for this Ligand-Target Pair

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