Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'mcnutt' and Initial = 'a'   

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
Aurora kinase B (Homo sapiens (Human))	BDBM24722 (7,7,16-trimethyl-5,11,14,15-tetraazapentacyclo[10....) Show SMILES Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3c(NC(=O)C3(C)C)cc12 Show InChI InChI=1S/C19H20N4O/c1-9-10-5-4-6-11-12-7-15-13(19(2,3)18(24)21-15)8-14(12)20-16(11)17(10)23-22-9/h7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<2	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24722 (7,7,16-trimethyl-5,11,14,15-tetraazapentacyclo[10....) Show SMILES Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3c(NC(=O)C3(C)C)cc12 Show InChI InChI=1S/C19H20N4O/c1-9-10-5-4-6-11-12-7-15-13(19(2,3)18(24)21-15)8-14(12)20-16(11)17(10)23-22-9/h7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24721 (5-ethyl-7,7,16-trimethyl-5,11,14,15-tetraazapentac...) Show SMILES CCN1C(=O)C(C)(C)c2cc3[nH]c4-c5n[nH]c(C)c5CCCc4c3cc12 Show InChI InChI=1S/C21H24N4O/c1-5-25-17-9-14-13-8-6-7-12-11(2)23-24-19(12)18(13)22-16(14)10-15(17)21(3,4)20(25)26/h9-10,22H,5-8H2,1-4H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM24721 (5-ethyl-7,7,16-trimethyl-5,11,14,15-tetraazapentac...) Show SMILES CCN1C(=O)C(C)(C)c2cc3[nH]c4-c5n[nH]c(C)c5CCCc4c3cc12 Show InChI InChI=1S/C21H24N4O/c1-5-25-17-9-14-13-8-6-7-12-11(2)23-24-19(12)18(13)22-16(14)10-15(17)21(3,4)20(25)26/h9-10,22H,5-8H2,1-4H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM24720 (5-methyl-3,4,17-triazatetracyclo[8.7.0.0^{2,6}.0^{...) Show SMILES Cc1[nH]nc-2c1CCCc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C15H15N3/c1-9-10-6-4-7-12-11-5-2-3-8-13(11)16-14(12)15(10)18-17-9/h2-3,5,8,16H,4,6-7H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM24720 (5-methyl-3,4,17-triazatetracyclo[8.7.0.0^{2,6}.0^{...) Show SMILES Cc1[nH]nc-2c1CCCc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C15H15N3/c1-9-10-6-4-7-12-11-5-2-3-8-13(11)16-14(12)15(10)18-17-9/h2-3,5,8,16H,4,6-7H2,1H3,(H,17,18)	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	42	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24714 (5-methyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{...) Show SMILES Cc1[nH]nc-2c1CCc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C14H13N3/c1-8-9-6-7-11-10-4-2-3-5-12(10)15-13(11)14(9)17-16-8/h2-5,15H,6-7H2,1H3,(H,16,17)	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	51	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24712 (5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-...) Show SMILES CCN1C(=O)C(C)(C)c2cc3nc([nH]c3cc12)-c1cc(C)[nH]n1 Show InChI InChI=1S/C17H19N5O/c1-5-22-14-8-12-11(7-10(14)17(3,4)16(22)23)18-15(19-12)13-6-9(2)20-21-13/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21)	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	69	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM24723 (5,5,16-trimethyl-7,11,14,15-tetraazapentacyclo[10....) Show SMILES Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3NC(=O)C(C)(C)c3cc12 Show InChI InChI=1S/C19H20N4O/c1-9-10-5-4-6-11-12-7-13-15(21-18(24)19(13,2)3)8-14(12)20-16(11)17(10)23-22-9/h7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM24723 (5,5,16-trimethyl-7,11,14,15-tetraazapentacyclo[10....) Show SMILES Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3NC(=O)C(C)(C)c3cc12 Show InChI InChI=1S/C19H20N4O/c1-9-10-5-4-6-11-12-7-13-15(21-18(24)19(13,2)3)8-14(12)20-16(11)17(10)23-22-9/h7-8,20H,4-6H2,1-3H3,(H,21,24)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24715 (5-cyclopropyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6...) Show SMILES C1CC1c1[nH]nc-2c1CCc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C16H15N3/c1-2-4-13-10(3-1)11-7-8-12-14(9-5-6-9)18-19-16(12)15(11)17-13/h1-4,9,17H,5-8H2,(H,18,19)	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	110	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM24712 (5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-...) Show SMILES CCN1C(=O)C(C)(C)c2cc3nc([nH]c3cc12)-c1cc(C)[nH]n1 Show InChI InChI=1S/C17H19N5O/c1-5-22-14-8-12-11(7-10(14)17(3,4)16(22)23)18-15(19-12)13-6-9(2)20-21-13/h6-8H,5H2,1-4H3,(H,18,19)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM24711 (7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H,5H,6H...) Show SMILES Cc1cc(n[nH]1)-c1nc2cc3c(NC(=O)C3(C)C)cc2[nH]1 Show InChI InChI=1S/C15H15N5O/c1-7-4-12(20-19-7)13-16-10-5-8-9(6-11(10)17-13)18-14(21)15(8,2)3/h4-6H,1-3H3,(H,16,17)(H,18,21)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24711 (7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H,5H,6H...) Show SMILES Cc1cc(n[nH]1)-c1nc2cc3c(NC(=O)C3(C)C)cc2[nH]1 Show InChI InChI=1S/C15H15N5O/c1-7-4-12(20-19-7)13-16-10-5-8-9(6-11(10)17-13)18-14(21)15(8,2)3/h4-6H,1-3H3,(H,16,17)(H,18,21)(H,19,20)	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	180	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM24714 (5-methyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{...) Show SMILES Cc1[nH]nc-2c1CCc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C14H13N3/c1-8-9-6-7-11-10-4-2-3-5-12(10)15-13(11)14(9)17-16-8/h2-5,15H,6-7H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24713 (1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole | 3,4,1...) Show SMILES C1Cc2c([nH]c3ccccc23)-c2n[nH]cc12 Show InChI InChI=1S/C13H11N3/c1-2-4-11-9(3-1)10-6-5-8-7-14-16-12(8)13(10)15-11/h1-4,7,15H,5-6H2,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24717 (3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]he...) Show SMILES OCc1[nH]nc-2c1CCc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C14H13N3O/c18-7-12-10-6-5-9-8-3-1-2-4-11(8)15-13(9)14(10)17-16-12/h1-4,15,18H,5-7H2,(H,16,17)	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	340	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM24718 (2-(5-Methyl-1H-pyrazol-3-yl)-1H-indole | pyrazole-...) Show SMILES Cc1cc(n[nH]1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C12H11N3/c1-8-6-12(15-14-8)11-7-9-4-2-3-5-10(9)13-11/h2-7,13H,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24719 (13-methyl-8,11,12-triazatetracyclo[7.6.0.0^{2,7}.0...) Show SMILES Cc1[nH]nc-2c1Cc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C13H11N3/c1-7-9-6-10-8-4-2-3-5-11(8)14-12(10)13(9)16-15-7/h2-5,14H,6H2,1H3,(H,15,16)	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	870	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM24719 (13-methyl-8,11,12-triazatetracyclo[7.6.0.0^{2,7}.0...) Show SMILES Cc1[nH]nc-2c1Cc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C13H11N3/c1-7-9-6-10-8-4-2-3-5-11(8)14-12(10)13(9)16-15-7/h2-5,14H,6H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24718 (2-(5-Methyl-1H-pyrazol-3-yl)-1H-indole | pyrazole-...) Show SMILES Cc1cc(n[nH]1)-c1cc2ccccc2[nH]1 Show InChI InChI=1S/C12H11N3/c1-8-6-12(15-14-8)11-7-9-4-2-3-5-10(9)13-11/h2-7,13H,1H3,(H,14,15)	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	1.10E+3	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271046 (CHEMBL4127005) Show SMILES O=C1C=C(CSC(=S)N2CCN(CC2)c2ccccc2)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C22H20N2O2S2/c25-20-14-16(21(26)19-9-5-4-8-18(19)20)15-28-22(27)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-9,14H,10-13,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271056 (CHEMBL4127111) Show SMILES O=C1C=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C17H17NO2S2/c19-15-10-12(16(20)14-7-3-2-6-13(14)15)11-22-17(21)18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9,11H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271044 (CHEMBL4125726) Show SMILES CC1=C(CSC(=S)NCc2ccccc2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C20H17NO2S2/c1-13-17(19(23)16-10-6-5-9-15(16)18(13)22)12-25-20(24)21-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271058 (CHEMBL4128346) Show SMILES CCN(CC)C(=S)SCC1=CC(=O)c2ccccc2C1=O |t:9| Show InChI InChI=1S/C16H17NO2S2/c1-3-17(4-2)16(20)21-10-11-9-14(18)12-7-5-6-8-13(12)15(11)19/h5-9H,3-4,10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271043 (CHEMBL4128703) Show SMILES CC1=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C18H19NO2S2/c1-12-15(11-23-18(22)19-9-5-2-6-10-19)17(21)14-8-4-3-7-13(14)16(12)20/h3-4,7-8H,2,5-6,9-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKLR (Homo sapiens (Human))	BDBM50271046 (CHEMBL4127005) Show SMILES O=C1C=C(CSC(=S)N2CCN(CC2)c2ccccc2)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C22H20N2O2S2/c25-20-14-16(21(26)19-9-5-4-8-18(19)20)15-28-22(27)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-9,14H,10-13,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKL expressed in Escherichia coli preincubated for 15 mins followed by PEP/NADH addition measur...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271057 (CHEMBL4128501) Show SMILES O=C1C=C(CSC(=S)N2CCOCC2)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C16H15NO3S2/c18-14-9-11(15(19)13-4-2-1-3-12(13)14)10-22-16(21)17-5-7-20-8-6-17/h1-4,9H,5-8,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271052 (CHEMBL4128970) Show SMILES CCCCN(CCCC)C(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:13| Show InChI InChI=1S/C21H27NO2S2/c1-4-6-12-22(13-7-5-2)21(25)26-14-18-15(3)19(23)16-10-8-9-11-17(16)20(18)24/h8-11H,4-7,12-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271060 (CHEMBL4129340) Show SMILES CC1=C(SC(=S)N2CCCCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C17H17NO2S2/c1-11-14(19)12-7-3-4-8-13(12)15(20)16(11)22-17(21)18-9-5-2-6-10-18/h3-4,7-8H,2,5-6,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271092 (CHEMBL4126536) Show SMILES CC1=C(CSC(=S)NCC2CCCCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C20H23NO2S2/c1-13-17(19(23)16-10-6-5-9-15(16)18(13)22)12-25-20(24)21-11-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271095 (CHEMBL4128010) Show SMILES CC1=C(CSC(=S)N2CCSC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C16H15NO2S3/c1-10-13(8-22-16(20)17-6-7-21-9-17)15(19)12-5-3-2-4-11(12)14(10)18/h2-5H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM24716 (Tetrahydropyrazolo[3,4-a]carbazole, 25 | ethyl 3,4...) Show SMILES CCOC(=O)c1[nH]nc-2c1CCc1c-2[nH]c2ccccc12 Show InChI InChI=1S/C16H15N3O2/c1-2-21-16(20)15-11-8-7-10-9-5-3-4-6-12(9)17-13(10)14(11)18-19-15/h3-6,17H,2,7-8H2,1H3,(H,18,19)	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	5.70E+3	n/a	n/a	n/a	n/a	7.5	22
Genentech					Assay Description Aurora kinase was assayed in ELISA format using a GST fusion of the N-terminus of Histone H3 as substrate. Plates were coated with substrate, and the...				J Med Chem 51: 4465-75 (2008) Article DOI: 10.1021/jm800052b BindingDB Entry DOI: 10.7270/Q2H70D4F
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271048 (CHEMBL4126776) Show SMILES CC1=C(CSC(=S)N2CCSCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C17H17NO2S3/c1-11-14(10-23-17(21)18-6-8-22-9-7-18)16(20)13-5-3-2-4-12(13)15(11)19/h2-5H,6-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271046 (CHEMBL4127005) Show SMILES O=C1C=C(CSC(=S)N2CCN(CC2)c2ccccc2)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C22H20N2O2S2/c25-20-14-16(21(26)19-9-5-4-8-18(19)20)15-28-22(27)24-12-10-23(11-13-24)17-6-2-1-3-7-17/h1-9,14H,10-13,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM1 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271053 (CHEMBL4129306) Show SMILES CCCN(CCC)C(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:11| Show InChI InChI=1S/C19H23NO2S2/c1-4-10-20(11-5-2)19(23)24-12-16-13(3)17(21)14-8-6-7-9-15(14)18(16)22/h6-9H,4-5,10-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKLR (Homo sapiens (Human))	BDBM50271043 (CHEMBL4128703) Show SMILES CC1=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C18H19NO2S2/c1-12-15(11-23-18(22)19-9-5-2-6-10-19)17(21)14-8-4-3-7-13(14)16(12)20/h3-4,7-8H,2,5-6,9-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKL expressed in Escherichia coli preincubated for 15 mins followed by PEP/NADH addition measur...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271073 (CHEMBL4126021) Show SMILES CC1=C(SC(=S)N2CCOCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C16H15NO3S2/c1-10-13(18)11-4-2-3-5-12(11)14(19)15(10)22-16(21)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271054 (CHEMBL4127909) Show SMILES CCN(CC)C(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:9| Show InChI InChI=1S/C17H19NO2S2/c1-4-18(5-2)17(21)22-10-14-11(3)15(19)12-8-6-7-9-13(12)16(14)20/h6-9H,4-5,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50033731 ((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...) Show SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4| Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3-8,18-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271079 (CHEMBL4125882) Show SMILES CCCN(CCC)C(=S)SC1=C(C)C(=O)c2ccccc2C1=O |c:10| Show InChI InChI=1S/C18H21NO2S2/c1-4-10-19(11-5-2)18(22)23-17-12(3)15(20)13-8-6-7-9-14(13)16(17)21/h6-9H,4-5,10-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271047 (CHEMBL4130043) Show SMILES CC1CN(CC(C)O1)C(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:13| Show InChI InChI=1S/C19H21NO3S2/c1-11-8-20(9-12(2)23-11)19(24)25-10-16-13(3)17(21)14-6-4-5-7-15(14)18(16)22/h4-7,11-12H,8-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50033731 ((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...) Show SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4| Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3-8,18-21H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM1 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271050 (CHEMBL4130187) Show SMILES CC1=C(CSC(=S)N(CC=C)CC=C)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C19H19NO2S2/c1-4-10-20(11-5-2)19(23)24-12-16-13(3)17(21)14-8-6-7-9-15(14)18(16)22/h4-9H,1-2,10-12H2,3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271094 (CHEMBL4127315) Show SMILES CN1CCN(CC1)C(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:12| Show InChI InChI=1S/C18H20N2O2S2/c1-12-15(11-24-18(23)20-9-7-19(2)8-10-20)17(22)14-6-4-3-5-13(14)16(12)21/h3-6H,7-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271049 (CHEMBL4128827) Show SMILES CC1=C(CSC(=S)N2CCOCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C17H17NO3S2/c1-11-14(10-23-17(22)18-6-8-21-9-7-18)16(20)13-5-3-2-4-12(13)15(11)19/h2-5H,6-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271055 (CHEMBL4130279) Show SMILES CCCN(CCC)C(=S)SCc1cc(OC)c2ccccc2c1OC Show InChI InChI=1S/C20H27NO2S2/c1-5-11-21(12-6-2)20(24)25-14-15-13-18(22-3)16-9-7-8-10-17(16)19(15)23-4/h7-10,13H,5-6,11-12,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM2 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271043 (CHEMBL4128703) Show SMILES CC1=C(CSC(=S)N2CCCCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C18H19NO2S2/c1-12-15(11-23-18(22)19-9-5-2-6-10-19)17(21)14-8-4-3-7-13(14)16(12)20/h3-4,7-8H,2,5-6,9-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged PKM1 expressed in Escherichia coli BL21 preincubated for 15 mins followed by PEP/NADH addition ...				Eur J Med Chem 138: 343-352 (2017) Article DOI: 10.1016/j.ejmech.2017.06.064 BindingDB Entry DOI: 10.7270/Q23B62NM
					More data for this Ligand-Target Pair

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