Found 8 hits of ki 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)) | BDBM50455474
(CHEMBL4218770)Show SMILES [H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCn3cc(CCCC(=O)O[C@]4(C)CCC5=C(C)CC[C@@]6([H])C(=C)C(=O)O[C@]6([H])[C@@]45[H])nn3)[C@]1([H])NC(=O)N2 |r,c:36| Show InChI InChI=1S/C39H58N6O9S/c1-25-11-12-29-26(2)37(48)53-36(29)34-28(25)13-14-39(34,3)54-33(47)10-6-7-27-23-45(44-43-27)16-18-51-20-22-52-21-19-50-17-15-40-32(46)9-5-4-8-31-35-30(24-55-31)41-38(49)42-35/h23,29-31,34-36H,2,4-22,24H2,1,3H3,(H,40,46)(H2,41,42,49)/t29-,30+,31+,34-,35+,36-,39+/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Irreversible binding affinity to recombinant human PKM2 expressed in Escherichia coli BL21 |
J Med Chem 61: 4155-4164 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00241
BindingDB Entry DOI: 10.7270/Q2C82CWR |
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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CHEMBL
MCE
KEGG
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PC sid
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| Article
PubMed
| 3.53E+3 | n/a | n/a | 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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CHEMBL
MCE
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PC sid
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| Article
PubMed
| 3.53E+3 | n/a | n/a | 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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CHEMBL
MCE
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PC sid
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| Article
PubMed
| 3.53E+3 | n/a | n/a | 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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CHEMBL
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| Article
PubMed
| 3.53E+3 | n/a | n/a | 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)) | 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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CHEMBL
MCE
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PC sid
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| Article
PubMed
| 3.53E+3 | n/a | n/a | 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)) | BDBM50336799
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80) | PDB
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CHEMBL
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PC cid
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| Article
PubMed
| 1.00E+4 | n/a | n/a | 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)) | BDBM50336799
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80) | PDB
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CHEMBL
DrugBank
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PC cid
PC sid
PDB
UniChem
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| Article
PubMed
| 1.65E+4 | n/a | n/a | 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 | |
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