Compile Data Set for Download or QSAR

Found 277 hits with Last Name = 'donaldson' and Initial = 'kh'   

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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50002595 (Solabegron) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human cloned beta-1 adrenergic receptor expressed in Sf9 cells				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50002595 (Solabegron) Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human cloned beta-2 adrenergic receptor expressed in Sf9 cells				J Med Chem 49: 2758-71 (2006) Checked by Author Article DOI: 10.1021/jm0509445 BindingDB Entry DOI: 10.7270/Q2KD20D5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256016 (CHEMBL475768 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C27H24ClFN4O4S2/c1-39(34,35)10-9-30-14-20-6-8-24(37-20)25-13-22-26(38-25)27(32-16-31-22)33-19-5-7-23(21(28)12-19)36-15-17-3-2-4-18(29)11-17/h2-8,11-13,16,30H,9-10,14-15H2,1H3,(H,31,32,33)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323113 ((R)-5-(5-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)-...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C26H19F3N4O2S/c1-15(18-4-2-3-5-19(18)26(27,28)29)35-22-13-23(36-24(22)25(30)34)33-14-32-20-12-17(6-7-21(20)33)16-8-10-31-11-9-16/h2-15H,1H3,(H2,30,34)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323107 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(pyridin-4-y...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1Cl |r| Show InChI InChI=1S/C25H19ClN4O2S/c1-15(18-4-2-3-5-19(18)26)32-22-13-23(33-24(22)25(27)31)30-14-29-20-12-17(6-7-21(20)30)16-8-10-28-11-9-16/h2-15H,1H3,(H2,27,31)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323116 ((R)-5-(5-(pyridin-3-yl)-1H-benzo[d]imidazol-1-yl)-...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cccnc1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C26H19F3N4O2S/c1-15(18-6-2-3-7-19(18)26(27,28)29)35-22-12-23(36-24(22)25(30)34)33-14-32-20-11-16(8-9-21(20)33)17-5-4-10-31-13-17/h2-15H,1H3,(H2,30,34)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323121 ((R)-5-(5-(1H-pyrazol-4-yl)-1H-benzo[d]imidazol-1-y...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cn[nH]c1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C24H18F3N5O2S/c1-13(16-4-2-3-5-17(16)24(25,26)27)34-20-9-21(35-22(20)23(28)33)32-12-29-18-8-14(6-7-19(18)32)15-10-30-31-11-15/h2-13H,1H3,(H2,28,33)(H,30,31)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323122 ((R)-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imi...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C25H20F3N5O2S/c1-14(17-5-3-4-6-18(17)25(26,27)28)35-21-10-22(36-23(21)24(29)34)33-13-30-19-9-15(7-8-20(19)33)16-11-31-32(2)12-16/h3-14H,1-2H3,(H2,29,34)/t14-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323109 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-methyl-1H...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1Cl |r| Show InChI InChI=1S/C24H20ClN5O2S/c1-14(17-5-3-4-6-18(17)25)32-21-10-22(33-23(21)24(26)31)30-13-27-19-9-15(7-8-20(19)30)16-11-28-29(2)12-16/h3-14H,1-2H3,(H2,26,31)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323123 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(1-methyl-1H...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1cnn(C)c1)c1ccccc1Cl |r| Show InChI InChI=1S/C24H20ClN5O2S/c1-14(17-5-3-4-6-18(17)25)32-21-10-22(33-23(21)24(26)31)30-13-27-19-8-7-15(9-20(19)30)16-11-28-29(2)12-16/h3-14H,1-2H3,(H2,26,31)/t14-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323124 ((R)-5-(5-(2-methylpyridin-4-yl)-1H-benzo[d]imidazo...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(C)c1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H21F3N4O2S/c1-15-11-18(9-10-32-15)17-7-8-22-21(12-17)33-14-34(22)24-13-23(25(37-24)26(31)35)36-16(2)19-5-3-4-6-20(19)27(28,29)30/h3-14,16H,1-2H3,(H2,31,35)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323108 ((R)-5-(5-(2-aminopyridin-4-yl)-1H-benzo[d]imidazol...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)c1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C26H20F3N5O2S/c1-14(17-4-2-3-5-18(17)26(27,28)29)36-21-12-23(37-24(21)25(31)35)34-13-33-19-10-15(6-7-20(19)34)16-8-9-32-22(30)11-16/h2-14H,1H3,(H2,30,32)(H2,31,35)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323110 ((R)-5-(5-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidaz...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)n1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C25H19F3N6O2S/c1-13(15-4-2-3-5-16(15)25(26,27)28)36-20-11-21(37-22(20)23(29)35)34-12-32-18-10-14(6-7-19(18)34)17-8-9-31-24(30)33-17/h2-13H,1H3,(H2,29,35)(H2,30,31,33)/t13-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323127 ((R)-5-(5-(2-aminopyrimidin-5-yl)-1H-benzo[d]imidaz...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnc(N)nc1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C25H19F3N6O2S/c1-13(16-4-2-3-5-17(16)25(26,27)28)36-20-9-21(37-22(20)23(29)35)34-12-33-18-8-14(6-7-19(18)34)15-10-31-24(30)32-11-15/h2-13H,1H3,(H2,29,35)(H2,30,31,32)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323096 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(2-(methy...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCS(C)(=O)=O)c1)c1ccccc1Cl |r| Show InChI InChI=1S/C28H26ClN5O4S2/c1-17(20-5-3-4-6-21(20)29)38-24-15-26(39-27(24)28(30)35)34-16-33-22-13-18(7-8-23(22)34)19-9-10-31-25(14-19)32-11-12-40(2,36)37/h3-10,13-17H,11-12H2,1-2H3,(H2,30,35)(H,31,32)/t17-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323097 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(2-hydrox...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCO)c1)c1ccccc1Cl |r| Show InChI InChI=1S/C27H24ClN5O3S/c1-16(19-4-2-3-5-20(19)28)36-23-14-25(37-26(23)27(29)35)33-15-32-21-12-17(6-7-22(21)33)18-8-9-30-24(13-18)31-10-11-34/h2-9,12-16,34H,10-11H2,1H3,(H2,29,35)(H,30,31)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323098 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(1-methyl...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NC2CCN(C)CC2)c1)c1ccccc1Cl |r| Show InChI InChI=1S/C31H31ClN6O2S/c1-19(23-5-3-4-6-24(23)32)40-27-17-29(41-30(27)31(33)39)38-18-35-25-15-20(7-8-26(25)38)21-9-12-34-28(16-21)36-22-10-13-37(2)14-11-22/h3-9,12,15-19,22H,10-11,13-14H2,1-2H3,(H2,33,39)(H,34,36)/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323105 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(1-methyl...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NC2CCN(C)CC2)n1)c1ccccc1Cl |r| Show InChI InChI=1S/C30H30ClN7O2S/c1-18(21-5-3-4-6-22(21)31)40-26-16-27(41-28(26)29(32)39)38-17-34-24-15-19(7-8-25(24)38)23-9-12-33-30(36-23)35-20-10-13-37(2)14-11-20/h3-9,12,15-18,20H,10-11,13-14H2,1-2H3,(H2,32,39)(H,33,35,36)/t18-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323106 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(2-morpho...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCN2CCOCC2)c1)c1ccccc1Cl |r| Show InChI InChI=1S/C29H29ClN6O3S/c1-19(22-4-2-3-5-23(22)30)39-26-15-27(40-28(26)29(31)37)36-18-32-24-14-20(6-7-25(24)36)21-16-33-35(17-21)9-8-34-10-12-38-13-11-34/h2-7,14-19H,8-13H2,1H3,(H2,31,37)/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323100 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(2-(4-met...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCN2CCN(C)CC2)c1)c1ccccc1Cl |r| Show InChI InChI=1S/C30H32ClN7O2S/c1-20(23-5-3-4-6-24(23)31)40-27-16-28(41-29(27)30(32)39)38-19-33-25-15-21(7-8-26(25)38)22-17-34-37(18-22)14-13-36-11-9-35(2)10-12-36/h3-8,15-20H,9-14H2,1-2H3,(H2,32,39)/t20-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323102 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(3-(4-eth...) Show SMILES CCN1CCN(CCCn2cc(cn2)-c2ccc3n(cnc3c2)-c2cc(O[C@H](C)c3ccccc3Cl)c(s2)C(N)=O)CC1 |r| Show InChI InChI=1S/C32H36ClN7O2S/c1-3-37-13-15-38(16-14-37)11-6-12-39-20-24(19-36-39)23-9-10-28-27(17-23)35-21-40(28)30-18-29(31(43-30)32(34)41)42-22(2)25-7-4-5-8-26(25)33/h4-5,7-10,17-22H,3,6,11-16H2,1-2H3,(H2,34,41)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256032 (CHEMBL475594 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CN(C)Cc1ccc(o1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C26H22ClFN4O2S/c1-32(2)13-19-7-9-23(34-19)24-12-21-25(35-24)26(30-15-29-21)31-18-6-8-22(20(27)11-18)33-14-16-4-3-5-17(28)10-16/h3-12,15H,13-14H2,1-2H3,(H,29,30,31)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323114 ((R)-5-(6-(pyridin-4-yl)-1H-benzo[d]imidazol-1-yl)-...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccncc1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C26H19F3N4O2S/c1-15(18-4-2-3-5-19(18)26(27,28)29)35-22-13-23(36-24(22)25(30)34)33-14-32-20-7-6-17(12-21(20)33)16-8-10-31-11-9-16/h2-15H,1H3,(H2,30,34)/t15-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323115 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(6-(pyridin-4-y...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1ccncc1)c1ccccc1Cl |r| Show InChI InChI=1S/C25H19ClN4O2S/c1-15(18-4-2-3-5-19(18)26)32-22-13-23(33-24(22)25(27)31)30-14-29-20-7-6-17(12-21(20)30)16-8-10-28-11-9-16/h2-15H,1H3,(H2,27,31)/t15-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323117 ((R)-5-(6-(pyridin-3-yl)-1H-benzo[d]imidazol-1-yl)-...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(cc12)-c1cccnc1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C26H19F3N4O2S/c1-15(18-6-2-3-7-19(18)26(27,28)29)35-22-12-23(36-24(22)25(30)34)33-14-32-20-9-8-16(11-21(20)33)17-5-4-10-31-13-17/h2-15H,1H3,(H2,30,34)/t15-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323104 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(2-(4-methyl...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCN(C)CC1)c1ccccc1Cl |r| Show InChI InChI=1S/C30H29ClN6O2S/c1-19(22-5-3-4-6-23(22)31)39-26-17-28(40-29(26)30(32)38)37-18-34-24-15-20(7-8-25(24)37)21-9-10-33-27(16-21)36-13-11-35(2)12-14-36/h3-10,15-19H,11-14H2,1-2H3,(H2,32,38)/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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323099 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(6-(1-methyl...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc(NC2CCN(C)CC2)nc1)c1ccccc1Cl |r| Show InChI InChI=1S/C31H31ClN6O2S/c1-19(23-5-3-4-6-24(23)32)40-27-16-29(41-30(27)31(33)39)38-18-35-25-15-20(7-9-26(25)38)21-8-10-28(34-17-21)36-22-11-13-37(2)14-12-22/h3-10,15-19,22H,11-14H2,1-2H3,(H2,33,39)(H,34,36)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323101 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-(3-(dimet...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCCN(C)C)c1)c1ccccc1Cl |r| Show InChI InChI=1S/C28H29ClN6O2S/c1-18(21-7-4-5-8-22(21)29)37-25-14-26(38-27(25)28(30)36)35-17-31-23-13-19(9-10-24(23)35)20-15-32-34(16-20)12-6-11-33(2)3/h4-5,7-10,13-18H,6,11-12H2,1-3H3,(H2,30,36)/t18-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256034 ((5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)t...) Show SMILES OCc1ccc(o1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C24H17ClFN3O3S/c25-18-9-16(4-6-20(18)31-12-14-2-1-3-15(26)8-14)29-24-23-19(27-13-28-24)10-22(33-23)21-7-5-17(11-30)32-21/h1-10,13,30H,11-12H2,(H,27,28,29)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256035 (2-((5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamin...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc(CNCC#N)o3)cc2Cl)c1 Show InChI InChI=1S/C26H19ClFN5O2S/c27-20-11-18(4-6-22(20)34-14-16-2-1-3-17(28)10-16)33-26-25-21(31-15-32-26)12-24(36-25)23-7-5-19(35-23)13-30-9-8-29/h1-7,10-12,15,30H,9,13-14H2,(H,31,32,33)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256036 (CHEMBL474431 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CS(=O)(=O)CCNCc1cc(cs1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C27H24ClFN4O3S3/c1-39(34,35)8-7-30-13-21-10-18(15-37-21)25-12-23-26(38-25)27(32-16-31-23)33-20-5-6-24(22(28)11-20)36-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323119 ((R)-5-(5-(thiophen-2-yl)-1H-benzo[d]imidazol-1-yl)...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cccs1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C25H18F3N3O2S2/c1-14(16-5-2-3-6-17(16)25(26,27)28)33-20-12-22(35-23(20)24(29)32)31-13-30-18-11-15(8-9-19(18)31)21-7-4-10-34-21/h2-14H,1H3,(H2,29,32)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323093 ((R)-5-(5-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCN(C)CC1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C31H29F3N6O2S/c1-19(22-5-3-4-6-23(22)31(32,33)34)42-26-17-28(43-29(26)30(35)41)40-18-37-24-15-20(7-8-25(24)40)21-9-10-36-27(16-21)39-13-11-38(2)12-14-39/h3-10,15-19H,11-14H2,1-2H3,(H2,35,41)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323095 ((R)-5-(5-(2-(2-(dimethylamino)ethylamino)pyridin-4...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCN(C)C)c1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C30H29F3N6O2S/c1-18(21-6-4-5-7-22(21)30(31,32)33)41-25-16-27(42-28(25)29(34)40)39-17-37-23-14-19(8-9-24(23)39)20-10-11-35-26(15-20)36-12-13-38(2)3/h4-11,14-18H,12-13H2,1-3H3,(H2,34,40)(H,35,36)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256017 (CHEMBL475769 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CS(=O)(=O)CCNCc1cc(co1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C27H24ClFN4O4S2/c1-39(34,35)8-7-30-13-21-10-18(15-36-21)25-12-23-26(38-25)27(32-16-31-23)33-20-5-6-24(22(28)11-20)37-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256038 (CHEMBL473437 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CN(C)Cc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C26H23ClFN5OS/c1-33(2)13-19-6-8-21(31-19)24-12-22-25(35-24)26(30-15-29-22)32-18-7-9-23(20(27)11-18)34-14-16-4-3-5-17(28)10-16/h3-12,15,31H,13-14H2,1-2H3,(H,29,30,32)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323125 ((R)-5-(5-(2-chloropyridin-4-yl)-1H-benzo[d]imidazo...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(Cl)c1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C26H18ClF3N4O2S/c1-14(17-4-2-3-5-18(17)26(28,29)30)36-21-12-23(37-24(21)25(31)35)34-13-33-19-10-15(6-7-20(19)34)16-8-9-32-22(27)11-16/h2-14H,1H3,(H2,31,35)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256033 (CHEMBL475761 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CN1CCN(Cc2ccc(o2)-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)CC1 Show InChI InChI=1S/C29H27ClFN5O2S/c1-35-9-11-36(12-10-35)16-22-6-8-26(38-22)27-15-24-28(39-27)29(33-18-32-24)34-21-5-7-25(23(30)14-21)37-17-19-3-2-4-20(31)13-19/h2-8,13-15,18H,9-12,16-17H2,1H3,(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323120 ((R)-5-(5-(1H-pyrrol-2-yl)-1H-benzo[d]imidazol-1-yl...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc[nH]1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C25H19F3N4O2S/c1-14(16-5-2-3-6-17(16)25(26,27)28)34-21-12-22(35-23(21)24(29)33)32-13-31-19-11-15(8-9-20(19)32)18-7-4-10-30-18/h2-14,30H,1H3,(H2,29,33)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50323110 ((R)-5-(5-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidaz...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)n1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C25H19F3N6O2S/c1-13(15-4-2-3-5-16(15)25(26,27)28)36-20-11-21(37-22(20)23(29)35)34-12-32-18-10-14(6-7-19(18)34)17-8-9-31-24(30)33-17/h2-13H,1H3,(H2,29,35)(H2,30,31,33)/t13-/m1/s1	PDB NCI pathway KEGG 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full lungth PLK3 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323094 ((R)-5-(5-(2-morpholinopyridin-4-yl)-1H-benzo[d]imi...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCOCC1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C30H26F3N5O3S/c1-18(21-4-2-3-5-22(21)30(31,32)33)41-25-16-27(42-28(25)29(34)39)38-17-36-23-14-19(6-7-24(23)38)20-8-9-35-26(15-20)37-10-12-40-13-11-37/h2-9,14-18H,10-13H2,1H3,(H2,34,39)/t18-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256039 (CHEMBL473438 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CCNCc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C26H23ClFN5OS/c1-2-29-13-19-6-8-21(32-19)24-12-22-25(35-24)26(31-15-30-22)33-18-7-9-23(20(27)11-18)34-14-16-4-3-5-17(28)10-16/h3-12,15,29,32H,2,13-14H2,1H3,(H,30,31,33)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50256040 (CHEMBL480349 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 Show InChI InChI=1S/C27H24ClFN4O4S2/c1-39(34,35)10-9-30-14-20-6-8-24(37-20)25-13-21-26(31-16-32-27(21)38-25)33-19-5-7-23(22(28)12-19)36-15-17-3-2-4-18(29)11-17/h2-8,11-13,16,30H,9-10,14-15H2,1H3,(H,31,32,33)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323111 ((R)-5-(5-phenyl-1H-benzo[d]imidazol-1-yl)-3-(1-(2-...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccccc1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C27H20F3N3O2S/c1-16(19-9-5-6-10-20(19)27(28,29)30)35-23-14-24(36-25(23)26(31)34)33-15-32-21-13-18(11-12-22(21)33)17-7-3-2-4-8-17/h2-16H,1H3,(H2,31,34)/t16-/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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50323118 ((R)-5-(5-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)-...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccccn1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C26H19F3N4O2S/c1-15(17-6-2-3-7-18(17)26(27,28)29)35-22-13-23(36-24(22)25(30)34)33-14-32-20-12-16(9-10-21(20)33)19-8-4-5-11-31-19/h2-15H,1H3,(H2,30,34)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PLK1 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50323122 ((R)-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzo[d]imi...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C25H20F3N5O2S/c1-14(17-5-3-4-6-18(17)25(26,27)28)35-21-10-22(36-23(21)24(29)34)33-13-30-19-9-15(7-8-20(19)33)16-11-31-32(2)12-16/h3-14H,1-2H3,(H2,29,34)/t14-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full lungth PLK3 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK3 (Homo sapiens (Human))	BDBM50323109 ((R)-3-(1-(2-chlorophenyl)ethoxy)-5-(5-(1-methyl-1H...) Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1Cl |r| Show InChI InChI=1S/C24H20ClN5O2S/c1-14(17-5-3-4-6-18(17)25)32-21-10-22(33-23(21)24(26)31)30-13-27-19-9-15(7-8-20(19)30)16-11-28-29(2)12-16/h3-14H,1-2H3,(H2,26,31)/t14-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full lungth PLK3 by SPA assay				Bioorg Med Chem Lett 20: 4587-92 (2010) Article DOI: 10.1016/j.bmcl.2010.06.009 BindingDB Entry DOI: 10.7270/Q2MS3SZB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256020 (CHEMBL475446 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES CS(=O)(=O)CCNCc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 Show InChI InChI=1S/C27H25ClFN5O3S2/c1-39(35,36)10-9-30-14-20-5-7-22(33-20)25-13-23-26(38-25)27(32-16-31-23)34-19-6-8-24(21(28)12-19)37-15-17-3-2-4-18(29)11-17/h2-8,11-13,16,30,33H,9-10,14-15H2,1H3,(H,31,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM27973 (6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r| Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...				Proc Natl Acad Sci U S A 105: 2773-8 (2008) Article DOI: 10.1073/pnas.0708281105 BindingDB Entry DOI: 10.7270/Q27S7M35
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50256018 (CHEMBL473427 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3cccs3)cc2Cl)c1 Show InChI InChI=1S/C23H15ClFN3OS2/c24-17-10-16(6-7-19(17)29-12-14-3-1-4-15(25)9-14)28-23-22-18(26-13-27-23)11-21(31-22)20-5-2-8-30-20/h1-11,13H,12H2,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 19: 817-20 (2009) Article DOI: 10.1016/j.bmcl.2008.12.011 BindingDB Entry DOI: 10.7270/Q2TH8NNN
					More data for this Ligand-Target Pair

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