Found 111 hits of ic50 for UniProtKB: P14618 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM36609
(Rapamycin C-7, analog 4 | SIROLIMUS | US11603377, ...)Show SMILES CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31| Show InChI InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
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
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| CHEMBL
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| Article
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Guizhou Medical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM2 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in p... |
Bioorg Med Chem Lett 27: 5404-5408 (2017)
Article DOI: 10.1016/j.bmcl.2017.11.011
BindingDB Entry DOI: 10.7270/Q2V40XS7 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597717
(CHEMBL3609603)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r| | PDB
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| Article
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| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597717
(CHEMBL3609603)Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r| | PDB
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| Article
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| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
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
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50135164
(3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihyd...)Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1 | PDB
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| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB
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| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM7457
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM7457
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597697
(ALKANNIN | CHEBI:2578 | E103)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H](-[#8])-[#6]-1=[#6]-[#6](=O)-c2c(-[#8])ccc(-[#8])c2-[#6]-1=O |r,t:7| | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597697
(ALKANNIN | CHEBI:2578 | E103)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H](-[#8])-[#6]-1=[#6]-[#6](=O)-c2c(-[#8])ccc(-[#8])c2-[#6]-1=O |r,t:7| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597706
(CHEMBL5189727)Show SMILES O=C1C=C(C(CSC(=S)NN2CCOSS2)SC(=S)NN2CCOSS2)C(=O)c2ccccc12 |t:2| | PDB
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| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB
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| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB
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| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM7458
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H | PDB
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| Article
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| n/a | n/a | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50084980
((+)-taxifolin | (-)-Epicatechol | (2R,3R)-(-)-Epic...)Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1 | PDB
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MMDB
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PC sid
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| Article
PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50084980
((+)-taxifolin | (-)-Epicatechol | (2R,3R)-(-)-Epic...)Show SMILES OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,15-20H/t13?,15-/m1/s1 | PDB
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| CHEMBL
MMDB
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PC sid
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| Article
PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50081950
(6-Hydroxy-2-phenyl-chromen-4-one | 6-Hydroxyflavon...)Show InChI InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H | PDB
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| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50260539
(CHEMBL80941)Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13?,15-/m1/s1 | PDB
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| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM23417
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 | PDB
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| Article
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| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50049385
(5-Hydroxy-2-phenyl-chromen-4-one | 5-Hydroxyflavon...)Show InChI InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H | PDB
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| Article
PubMed
| n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
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
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| PC cid
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| 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)) | BDBM50384788
(LAPACHOL)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]-1-[#6](=O)-[#6](=O)-c2ccccc2-[#6]-1=O Show InChI InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,12H,8H2,1-2H3 | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50009353
(1,5,10-triazadecane | 4-azaoctamethylenediamine | ...)Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
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
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
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
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| PC cid
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| 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)) | BDBM50187668
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H | PDB
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| Article
PubMed
| n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597715
(CHEMBL4877010) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597715
(CHEMBL4877010) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50140257
(5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one | 5...)Show InChI InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3 | PDB
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| Article
PubMed
| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM26664
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H | PDB
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| Article
PubMed
| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
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
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| PC cid
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| 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 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
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| Purchase
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
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
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| Purchase
MCE
PC cid
PC sid
UniChem
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| 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 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
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| PC cid
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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
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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
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| 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)) | BDBM50597716
(CHEBI:2672 | OXYMATRINE | Oxymatrine)Show SMILES [H][C@]12CCC[N+]3([O-])CCC[C@]([H])([C@@]4([H])CCCC(=O)N4C1)[C@]23[H] | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
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
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| 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
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| 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
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| 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
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| 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 PKM
(Homo sapiens (Human)) | BDBM82190
(Salicylic acid derivative, compound 2)Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17) | PDB
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| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM82190
(Salicylic acid derivative, compound 2)Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17) | PDB
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| US Patent
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.
US Patent
| Assay Description
Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ... |
US Patent US8877791 (2014)
BindingDB Entry DOI: 10.7270/Q2D21WBN |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597707
(CHEMBL5171047)Show SMILES OC(=O)c1ccc(SC2=NS(=O)(=O)c3ccccc23)cc1 |t:8| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00981
BindingDB Entry DOI: 10.7270/Q2M330SP |
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
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| 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
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| PC cid
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| 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
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| 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 | |
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