Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'zhu' and Initial = 'yl'   

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 B-raf (Homo sapiens (Human))	BDBM50029085 (CHEBI:83405 | CHEMBL525191 | GDC-0879) Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant (unknown origin)				Bioorg Med Chem 22: 6201-8 (2014) Article DOI: 10.1016/j.bmc.2014.08.029 BindingDB Entry DOI: 10.7270/Q2RB7658
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436720 (CHEMBL2401963) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436742 (CHEMBL2402081) Show SMILES CC[C@H]1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H21FN8O/c1-4-16-21(32)29(3)17-13-25-22(26-20(17)31(16)18-9-11-28(2)27-18)30-12-10-24-19(30)14-5-7-15(23)8-6-14/h5-13,16H,4H2,1-3H3/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436746 (CHEMBL2401971) Show SMILES CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C22H24N6O2/c1-3-17-21(29)26(2)18-13-24-22(25-20(18)28(17)16-9-12-30-14-16)27-11-10-23-19(27)15-7-5-4-6-8-15/h4-8,10-11,13,16-17H,3,9,12,14H2,1-2H3/t16-,17+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD 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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50436720 (CHEMBL2401963) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436749 (CHEMBL2401966) Show SMILES CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C21H21F3N6O/c1-3-15-19(31)28(2)16-13-26-20(27-18(16)29(15)11-9-21(22,23)24)30-12-10-25-17(30)14-7-5-4-6-8-14/h4-8,10,12-13,15H,3,9,11H2,1-2H3/t15-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436734 (CHEMBL2402079) Show SMILES CCC1N(c2ccn[nH]2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C21H19FN8O/c1-3-15-20(31)28(2)16-12-24-21(26-19(16)30(15)17-8-9-25-27-17)29-11-10-23-18(29)13-4-6-14(22)7-5-13/h4-12,15H,3H2,1-2H3,(H,25,27)	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436726 (CHEMBL2401969) Show SMILES CC[C@H]1N(C2CC(F)(F)C2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H21F3N6O/c1-3-16-20(32)29(2)17-12-27-21(28-19(17)31(16)15-10-22(24,25)11-15)30-9-8-26-18(30)13-4-6-14(23)7-5-13/h4-9,12,15-16H,3,10-11H2,1-2H3/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436727 (CHEMBL2402078) Show SMILES CC[C@H]1N(c2cn[nH]c2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H19FN8O/c1-3-16-20(31)28(2)17-12-24-21(27-19(17)30(16)15-10-25-26-11-15)29-9-8-23-18(29)13-4-6-14(22)7-5-13/h4-12,16H,3H2,1-2H3,(H,25,26)/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436747 (CHEMBL2401968) Show SMILES CCC1N(C2CCC(F)(F)C2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C23H23F3N6O/c1-3-17-21(33)30(2)18-13-28-22(29-20(18)32(17)16-8-9-23(25,26)12-16)31-11-10-27-19(31)14-4-6-15(24)7-5-14/h4-7,10-11,13,16-17H,3,8-9,12H2,1-2H3	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	22
Plexxikon					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				Proc Natl Acad Sci U S A 105: 3041-6 (2008) Article DOI: 10.1073/pnas.0711741105 BindingDB Entry DOI: 10.7270/Q2SB441T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged human HDAC1 expressed in baculovirus expression system using Ac-peptide substrate incu...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436738 (CHEMBL2401975) Show SMILES CCC1N(c2ccc(F)cc2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C24H20F2N6O/c1-3-19-23(33)30(2)20-14-28-24(29-22(20)32(19)18-10-8-17(26)9-11-18)31-13-12-27-21(31)15-4-6-16(25)7-5-15/h4-14,19H,3H2,1-2H3	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged human HDAC1 expressed in baculovirus expression system using Ac-peptide substrate incu...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436737 (CHEMBL2401974) Show SMILES CCC1N(c2ccccc2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 Show InChI InChI=1S/C24H22N6O/c1-3-19-23(31)28(2)20-16-26-24(27-22(20)30(19)18-12-8-5-9-13-18)29-15-14-25-21(29)17-10-6-4-7-11-17/h4-16,19H,3H2,1-2H3	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436745 (CHEMBL2401972) Show SMILES CC[C@H]1N([C@@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C22H24N6O2/c1-3-17-21(29)26(2)18-13-24-22(25-20(18)28(17)16-9-12-30-14-16)27-11-10-23-19(27)15-7-5-4-6-8-15/h4-8,10-11,13,16-17H,3,9,12,14H2,1-2H3/t16-,17-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436735 (CHEMBL2402080) Show SMILES CC[C@H]1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H21FN8O/c1-4-17-21(32)29(3)18-12-25-22(27-20(18)31(17)16-11-26-28(2)13-16)30-10-9-24-19(30)14-5-7-15(23)8-6-14/h5-13,17H,4H2,1-3H3/t17-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mi...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436744 (CHEMBL2401965) Show SMILES CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C21H24N6O/c1-5-16-20(28)25(4)17-13-23-21(24-19(17)27(16)14(2)3)26-12-11-22-18(26)15-9-7-6-8-10-15/h6-14,16H,5H2,1-4H3/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mi...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mi...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436730 (CHEMBL2401959) Show SMILES CCC1(C)N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F4N6O/c1-4-21(2)19(33)30(3)16-13-28-20(29-18(16)32(21)11-9-22(24,25)26)31-12-10-27-17(31)14-5-7-15(23)8-6-14/h5-8,10,12-13H,4,9,11H2,1-3H3	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436731 (CHEMBL2402076) Show SMILES CCC1N(c2ccc(cc2)C#N)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C25H20FN7O/c1-3-20-24(34)31(2)21-15-29-25(30-23(21)33(20)19-10-4-16(14-27)5-11-19)32-13-12-28-22(32)17-6-8-18(26)9-7-17/h4-13,15,20H,3H2,1-2H3	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436729 (CHEMBL2401973) Show SMILES CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H23FN6O2/c1-3-17-21(30)27(2)18-12-25-22(26-20(18)29(17)16-8-11-31-13-16)28-10-9-24-19(28)14-4-6-15(23)7-5-14/h4-7,9-10,12,16-17H,3,8,11,13H2,1-2H3/t16-,17+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436748 (CHEMBL2402083) Show SMILES CC[C@H]1N(C2CCOCC2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r| Show InChI InChI=1S/C20H23N7O2S/c1-3-14-20(28)26(2)15-11-22-17(13-10-23-25-16(13)19-21-6-9-30-19)24-18(15)27(14)12-4-7-29-8-5-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,23,25)/t14-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436741 (CHEMBL2402084) Show SMILES CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r| Show InChI InChI=1S/C19H21N7O2S/c1-3-13-19(27)25(2)14-9-21-16(23-17(14)26(13)11-4-6-28-10-11)12-8-22-24-15(12)18-20-5-7-29-18/h5,7-9,11,13H,3-4,6,10H2,1-2H3,(H,22,24)/t11-,13+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436732 (CHEMBL2401967) Show SMILES CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H20F4N6O/c1-3-15-19(32)29(2)16-12-27-20(28-18(16)30(15)10-8-21(23,24)25)31-11-9-26-17(31)13-4-6-14(22)7-5-13/h4-7,9,11-12,15H,3,8,10H2,1-2H3/t15-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436728 (CHEMBL2402077) Show SMILES CC[C@H]1N(c2cncnc2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C22H20N8O/c1-3-17-21(31)28(2)18-13-26-22(27-20(18)30(17)16-11-23-14-24-12-16)29-10-9-25-19(29)15-7-5-4-6-8-15/h4-14,17H,3H2,1-2H3/t17-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436721 (CHEMBL2401964) Show SMILES CC[C@H]1N(C(C)C)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r| Show InChI InChI=1S/C18H21N7OS/c1-5-12-18(26)24(4)13-9-20-15(22-16(13)25(12)10(2)3)11-8-21-23-14(11)17-19-6-7-27-17/h6-10,12H,5H2,1-4H3,(H,21,23)/t12-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436736 (CHEMBL2402085) Show SMILES CC[C@H]1N(c2cn[nH]c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r| Show InChI InChI=1S/C18H17N9OS/c1-3-12-18(28)26(2)13-9-20-15(24-16(13)27(12)10-6-21-22-7-10)11-8-23-25-14(11)17-19-4-5-29-17/h4-9,12H,3H2,1-2H3,(H,21,22)(H,23,25)/t12-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of MAOB (unknown origin) using beetle luciferin as substrate by MAO-Glo assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436743 (CHEMBL2401956) Show SMILES CC[C@H]1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1ccc(F)cc1F |r| Show InChI InChI=1S/C22H20F2N8O/c1-4-17-22(33)31(3)18-10-25-20(28-21(18)32(17)13-8-27-30(2)11-13)15-9-26-29-19(15)14-6-5-12(23)7-16(14)24/h5-11,17H,4H2,1-3H3,(H,26,29)/t17-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436733 (CHEMBL2401958) Show SMILES CN1C(=O)C(CC(F)(F)F)N(CCC(F)(F)F)c2nc(ncc12)-n1ccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C21H17F7N6O/c1-32-15-11-30-19(34-9-7-29-16(34)12-2-4-13(22)5-3-12)31-17(15)33(8-6-20(23,24)25)14(18(32)35)10-21(26,27)28/h2-5,7,9,11,14H,6,8,10H2,1H3	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	22
Plexxikon					Assay Description Enzyme activity was assayed using Z-LYTE Enzymatic Kinase Assay format (Invitrogen Corp., Carlsbad, CA) according to the manufacturer instructions.				Proc Natl Acad Sci U S A 105: 3041-6 (2008) Article DOI: 10.1073/pnas.0711741105 BindingDB Entry DOI: 10.7270/Q2SB441T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436740 (CHEMBL2402086) Show SMILES CCC1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 Show InChI InChI=1S/C19H19N9OS/c1-4-13-19(29)27(3)14-9-21-16(12-8-22-25-15(12)18-20-5-6-30-18)24-17(14)28(13)11-7-23-26(2)10-11/h5-10,13H,4H2,1-3H3,(H,22,25)	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.0	22
Plexxikon					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				Proc Natl Acad Sci U S A 105: 3041-6 (2008) Article DOI: 10.1073/pnas.0711741105 BindingDB Entry DOI: 10.7270/Q2SB441T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436739 (CHEMBL2401957) Show SMILES CCC1N(c2cnn(C)c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1ccccn1 Show InChI InChI=1S/C21H21N9O/c1-4-16-21(31)29(3)17-11-23-19(26-20(17)30(16)13-9-25-28(2)12-13)14-10-24-27-18(14)15-7-5-6-8-22-15/h5-12,16H,4H2,1-3H3,(H,24,27)	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432175 (CHEMBL2346800) Show SMILES CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc3ccncc3c(=O)[nH]2)=N1 |r,c:35| Show InChI InChI=1S/C26H24ClN5O/c1-26(2)14-17-13-18(27)8-9-19(17)23(32-26)30-22(12-16-6-4-3-5-7-16)24-29-21-10-11-28-15-20(21)25(33)31-24/h3-11,13,15,22H,12,14H2,1-2H3,(H,30,32)(H,29,31,33)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BACE-1 (unknown origin) by alpha screen assay				Bioorg Med Chem Lett 23: 2181-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.103 BindingDB Entry DOI: 10.7270/Q25B03WH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278275 (CHEMBL4162637) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O/c24-20-8-4-5-9-21(20)26-23(27)18-12-10-16(11-13-18)15-25-22-14-19(22)17-6-2-1-3-7-17/h1-13,19,22,25H,14-15,24H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Tested in vitro for histamine H3 receptor mediate inhibition of neurogenic contractions in guinea pig isolated ileum assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50436749 (CHEMBL2401966) Show SMILES CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C21H21F3N6O/c1-3-15-19(31)28(2)16-13-26-20(27-18(16)29(15)11-9-21(22,23)24)30-12-10-25-17(30)14-7-5-4-6-8-14/h4-8,10,12-13,15H,3,9,11H2,1-2H3/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50436748 (CHEMBL2402083) Show SMILES CC[C@H]1N(C2CCOCC2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1 |r| Show InChI InChI=1S/C20H23N7O2S/c1-3-14-20(28)26(2)15-11-22-17(13-10-23-25-16(13)19-21-6-9-30-19)24-18(15)27(14)12-4-7-29-8-5-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,23,25)/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278276 (CHEMBL4176702) Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C25H25N3O/c26-22-8-4-5-9-23(22)28-25(29)15-14-18-10-12-19(13-11-18)17-27-24-16-21(24)20-6-2-1-3-7-20/h1-15,21,24,27H,16-17,26H2,(H,28,29)/b15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged human HDAC1 expressed in baculovirus expression system using Ac-peptide substrate incu...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50436747 (CHEMBL2401968) Show SMILES CCC1N(C2CCC(F)(F)C2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C23H23F3N6O/c1-3-17-21(33)30(2)18-13-28-22(29-20(18)32(17)16-8-9-23(25,26)12-16)31-11-10-27-19(31)14-4-6-15(24)7-5-14/h4-7,10-11,13,16-17H,3,8-9,12H2,1-2H3	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	320	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50436746 (CHEMBL2401971) Show SMILES CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C22H24N6O2/c1-3-17-21(29)26(2)18-13-24-22(25-20(18)28(17)16-9-12-30-14-16)27-11-10-23-19(27)15-7-5-4-6-8-15/h4-8,10-11,13,16-17H,3,9,12,14H2,1-2H3/t16-,17+/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	380	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50278275 (CHEMBL4162637) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O/c24-20-8-4-5-9-21(20)26-23(27)18-12-10-16(11-13-18)15-25-22-14-19(22)17-6-2-1-3-7-17/h1-13,19,22,25H,14-15,24H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	413	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50432173 (CHEMBL2346802) Show SMILES CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(C#N)c(=O)[nH]2)=N1 |r,c:32| Show InChI InChI=1S/C24H22ClN5O/c1-24(2)12-16-11-18(25)8-9-19(16)21(30-24)28-20(10-15-6-4-3-5-7-15)22-27-14-17(13-26)23(31)29-22/h3-9,11,14,20H,10,12H2,1-2H3,(H,28,30)(H,27,29,31)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of BACE-1 (unknown origin) by alpha screen assay				Bioorg Med Chem Lett 23: 2181-6 (2013) Article DOI: 10.1016/j.bmcl.2013.01.103 BindingDB Entry DOI: 10.7270/Q25B03WH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50436745 (CHEMBL2401972) Show SMILES CC[C@H]1N([C@@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C22H24N6O2/c1-3-17-21(29)26(2)18-13-24-22(25-20(18)28(17)16-9-12-30-14-16)27-11-10-23-19(27)15-7-5-4-6-8-15/h4-8,10-11,13,16-17H,3,9,12,14H2,1-2H3/t16-,17-/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	480	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436742 (CHEMBL2402081) Show SMILES CC[C@H]1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H21FN8O/c1-4-16-21(32)29(3)17-13-25-22(26-20(17)31(16)18-9-11-28(2)27-18)30-12-10-24-19(30)14-5-7-15(23)8-6-14/h5-13,16H,4H2,1-3H3/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Plk2 (unknown origin) transfected in HEK293 cells assessed as inhibition of alpha-synuclein phosphorylation at ser129 after 2 hrs by EL...				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair

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