Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50001169   

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
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
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
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50271042 (CHEMBL4126628) Show SMILES CC1=C(CSC(=S)N2CCCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C17H17NO2S2/c1-11-14(10-22-17(21)18-8-4-5-9-18)16(20)13-7-3-2-6-12(13)15(11)19/h2-3,6-7H,4-5,8-10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+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))	BDBM50271081 (CHEMBL4128900) Show SMILES CN1CCN(CC1)NC(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:13| Show InChI InChI=1S/C18H21N3O2S2/c1-12-15(17(23)14-6-4-3-5-13(14)16(12)22)11-25-18(24)19-21-9-7-20(2)8-10-21/h3-6H,7-11H2,1-2H3,(H,19,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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))	BDBM50271084 (CHEMBL4127501) Show SMILES CC1=C(CSC(=S)NN2CCCCC2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C18H20N2O2S2/c1-12-15(11-24-18(23)19-20-9-5-2-6-10-20)17(22)14-8-4-3-7-13(14)16(12)21/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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))	BDBM50271059 (CHEMBL4129726) Show SMILES CC(=O)N1CCN(CC1)C(=S)SC1=C(C)C(=O)c2ccccc2C1=O |c:13| Show InChI InChI=1S/C18H18N2O3S2/c1-11-15(22)13-5-3-4-6-14(13)16(23)17(11)25-18(24)20-9-7-19(8-10-20)12(2)21/h3-6H,7-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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))	BDBM50271090 (CHEMBL4126950) Show SMILES CC1=C(CSC(=S)NCc2cccnc2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C19H16N2O2S2/c1-12-16(18(23)15-7-3-2-6-14(15)17(12)22)11-25-19(24)21-10-13-5-4-8-20-9-13/h2-9H,10-11H2,1H3,(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	>2.00E+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))	BDBM50271091 (CHEMBL4127929) Show SMILES CNC(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:6| Show InChI InChI=1S/C14H13NO2S2/c1-8-11(7-19-14(18)15-2)13(17)10-6-4-3-5-9(10)12(8)16/h3-6H,7H2,1-2H3,(H,15,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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))	BDBM50271045 (CHEMBL4130222) Show SMILES CC1=C(CSC(=S)NCc2ccccn2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C19H16N2O2S2/c1-12-16(18(23)15-8-3-2-7-14(15)17(12)22)11-25-19(24)21-10-13-6-4-5-9-20-13/h2-9H,10-11H2,1H3,(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	>2.00E+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))	BDBM50271093 (CHEMBL4129165) Show SMILES CC(=O)N1CCN(CC1)C(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:14| Show InChI InChI=1S/C19H20N2O3S2/c1-12-16(18(24)15-6-4-3-5-14(15)17(12)23)11-26-19(25)21-9-7-20(8-10-21)13(2)22/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	>2.00E+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))	BDBM50271080 (CHEMBL4127266) Show SMILES CCN(CC)CCNC(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:12| Show InChI InChI=1S/C19H24N2O2S2/c1-4-21(5-2)11-10-20-19(24)25-12-16-13(3)17(22)14-8-6-7-9-15(14)18(16)23/h6-9H,4-5,10-12H2,1-3H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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))	BDBM50271051 (CHEMBL4127576) Show SMILES CC1=C(CSC(=S)N(CCO)CCO)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C17H19NO4S2/c1-11-14(10-24-17(23)18(6-8-19)7-9-20)16(22)13-5-3-2-4-12(13)15(11)21/h2-5,19-20H,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	>2.00E+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))	BDBM50271085 (CHEMBL4129013) Show SMILES CC1=C(CSC(=S)NCc2ccncc2)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C19H16N2O2S2/c1-12-16(18(23)15-5-3-2-4-14(15)17(12)22)11-25-19(24)21-10-13-6-8-20-9-7-13/h2-9H,10-11H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+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))	BDBM50271041 (CHEMBL4127769) Show SMILES CC(C)N1CCN(CC1)C(=S)SCC1=C(C)C(=O)c2ccccc2C1=O |c:14| Show InChI InChI=1S/C20H24N2O2S2/c1-13(2)21-8-10-22(11-9-21)20(25)26-12-17-14(3)18(23)15-6-4-5-7-16(15)19(17)24/h4-7,13H,8-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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 PKLR (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 GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.93E+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 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