Found 105 hits of ec50 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)) | BDBM15236
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.510 | 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)) | BDBM50241354
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...)Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2/t13-,15-,17+,18-,21+/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | 1.30 | 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)) | BDBM50455476
(CHEBI:6922 | Micheliolide)Show SMILES [H][C@@]12CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]1([H])OC(=O)C2=C |r,t:5| Show InChI InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Activation of recombinant human PKM2 expressed in Escherichia coli BL21 at 4 uM incubated for 50 mins measured over 40 mins |
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)) | BDBM50022801
(CHEMBL5274026)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CSSC[C@H](NC2=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C |wU:50.96,119.128,62.64,85.89,19.20,31.144,131.136,8.9,35.37,103.108,wD:127.132,55.61,95.104,108.120,76.80,137.143,1.0,(35.5,-14.89,;36.36,-13.23,;36.78,-14.71,;38.31,-14.77,;38.85,-13.33,;37.63,-12.36,;38.67,-11.23,;39.93,-12.12,;39.41,-9.88,;40.85,-10.45,;41.07,-11.97,;42.51,-12.54,;42.73,-14.07,;44.16,-14.64,;45.37,-13.68,;44.38,-16.16,;39.8,-8.39,;39.83,-6.84,;41.36,-6.68,;39.49,-5.34,;40.93,-4.82,;42.12,-5.82,;41.84,-7.34,;43.03,-8.32,;44.47,-7.81,;45.65,-8.8,;44.75,-6.29,;43.56,-5.29,;38.78,-3.97,;37.78,-2.8,;38.83,-1.66,;36.54,-1.9,;35.1,-1.33,;33.58,-1.12,;33.6,.42,;32.04,-1.28,;31.7,.22,;32.83,1.27,;32.48,2.77,;33.61,3.83,;35.08,3.37,;35.43,1.86,;36.21,4.42,;30.59,-1.8,;29.31,-2.67,;28.31,-1.49,;28.27,-3.8,;27.53,-5.16,;27.14,-6.64,;25.61,-6.44,;27.11,-8.19,;27.46,-9.69,;28.15,-11.07,;29.16,-12.23,;30.41,-13.12,;31.85,-13.7,;33.37,-13.91,;34.91,-13.75,;35.24,-15.25,;31.45,-15.19,;32.54,-16.27,;29.96,-15.6,;29.58,-17.09,;30.67,-18.18,;30.27,-19.66,;28.83,-20.22,;28.93,-21.76,;30.41,-22.15,;31.13,-23.52,;32.66,-23.59,;33.5,-22.29,;32.79,-20.92,;31.24,-20.85,;28.09,-17.5,;26.99,-16.4,;27.69,-18.98,;26.2,-19.39,;25.11,-18.3,;23.63,-18.7,;22.53,-17.63,;22.92,-16.12,;21.03,-18.03,;25.81,-20.88,;26.91,-21.96,;24.33,-21.29,;23.94,-22.78,;25.03,-23.86,;24.63,-25.35,;26.52,-23.46,;22.44,-23.18,;22.05,-24.67,;21.35,-22.09,;25.59,-8.34,;24.2,-7.66,;24.18,-6.23,;23.05,-8.47,;23.09,-9.9,;24.33,-10.58,;24.36,-11.99,;25.61,-12.66,;21.92,-7.69,;20.9,-7.71,;20.94,-9.13,;19.71,-6.95,;19.68,-5.53,;18.62,-7.79,;17.61,-7.82,;17.58,-6.4,;16.45,-8.64,;16.49,-10.07,;17.74,-10.73,;17.77,-12.15,;19,-12.78,;20.25,-13.51,;21.45,-12.77,;20.27,-14.92,;15.31,-7.86,;14.31,-7.87,;14.35,-9.29,;13.12,-7.1,;13.09,-5.69,;14.28,-4.95,;14.25,-3.54,;15.45,-2.8,;12.02,-7.95,;11.01,-7.99,;10.97,-6.56,;9.84,-8.81,;8.71,-8.01,;7.69,-8.04,;7.74,-9.46,;6.51,-7.27,;5.42,-8.11,;6.47,-5.84,;7.69,-5.11,;8.93,-5.79,;7.65,-3.69,;9.88,-10.23,;8.68,-10.97,;11.12,-10.9,;37.28,-.54,;36.47,.77,;38.81,-.51,)| Show InChI InChI=1S/C87H135N27O24S4/c1-42(2)66-81(134)108-58(35-46-21-23-48(116)24-22-46)77(130)106-57(19-13-31-97-87(93)94)83(136)114-32-14-20-62(114)80(133)110-61(79(132)107-59(36-47-38-98-51-16-10-9-15-49(47)51)78(131)104-54(25-26-64(118)119)76(129)112-67(43(3)4)84(137)138)41-142-141-40-60(71(124)99-39-63(117)101-52(75(128)111-66)17-11-29-95-85(89)90)109-74(127)55(27-33-139-7)102-69(122)44(5)100-72(125)53(18-12-30-96-86(91)92)103-73(126)56(28-34-140-8)105-82(135)68(45(6)115)113-70(123)50(88)37-65(120)121/h9-10,15-16,21-24,38,42-45,50,52-62,66-68,98,115-116H,11-14,17-20,25-37,39-41,88H2,1-8H3,(H,99,124)(H,100,125)(H,101,117)(H,102,122)(H,103,126)(H,104,131)(H,105,135)(H,106,130)(H,107,132)(H,108,134)(H,109,127)(H,110,133)(H,111,128)(H,112,129)(H,113,123)(H,118,119)(H,120,121)(H,137,138)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t44-,45+,50-,52-,53-,54-,55-,56-,57-,58-,59-,60+,61-,62-,66-,67-,68-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 7.10 | 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)) | BDBM50434635
(CHEMBL2385099)Show InChI InChI=1S/C15H13ClN2O5S/c1-22-10-4-2-3-9(5-10)18-24(20,21)14-7-13-12(6-11(14)16)17-15(19)8-23-13/h2-7,18H,8H2,1H3,(H,17,19) | PDB
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| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of PKM2 in human Huh7 cells assessed as production of pyruvate and ATP by fluorescence assay |
Bioorg Med Chem Lett 23: 3358-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.090
BindingDB Entry DOI: 10.7270/Q2XW4M6M |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597704
(CHEBI:28013 | FOSFRUCTOSE | Fosfructose)Show SMILES O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O |r| | 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)) | BDBM50597714
(AG-348 | Ag-348 | MITAPIVAT | Mitapivat | Pkr-in-1)Show SMILES O=C(N1CCN(CC2CC2)CC1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 | 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)) | BDBM50597709
(CHEMBL1084625) | 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 | 
3D Structure (crystal) |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361557
(CHEMBL1089334)Show SMILES Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2 | PDB
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| n/a | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361557
(CHEMBL1089334)Show SMILES Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2 | 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 |
3D Structure (crystal) |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361557
(CHEMBL1089334)Show SMILES Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H23N3O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-2-8-22(10-9-21)30(25,26)17-5-6-18-19(14-17)28-12-11-27-18/h1,3-6,13-14H,2,7-12,20H2 | 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 |
3D Structure (crystal) |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597712
(CHEMBL5179096)Show SMILES O=C(N1CCC(CC1)C(=S)SCc1cccnc1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 | 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)) | BDBM50361491
(CHEMBL1939112)Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 |r| Show InChI InChI=1S/C19H22ClN3O4S/c1-11-3-5-14(8-15(11)20)23-28(26,27)18-7-13-4-6-19(25)22-16(13)9-17(18)21-12(2)10-24/h3,5,7-9,12,21,23-24H,4,6,10H2,1-2H3,(H,22,25)/t12-/m0/s1 | PDB
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National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50434636
(CHEMBL2386917)Show InChI InChI=1S/C17H14N4O/c1-12-5-4-8-16-19-13(9-17(22)21(12)16)10-20-11-18-14-6-2-3-7-15(14)20/h2-9,11H,10H2,1H3 | PDB
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| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Activation of PKM2 in human Huh7 cells assessed as production of pyruvate and ATP by fluorescence assay |
Bioorg Med Chem Lett 23: 3358-63 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.090
BindingDB Entry DOI: 10.7270/Q2XW4M6M |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361488
(CHEMBL1939115)Show InChI InChI=1S/C17H17ClN2O3S/c1-10-3-5-13(7-11(10)2)20-24(22,23)16-9-15-12(8-14(16)18)4-6-17(21)19-15/h3,5,7-9,20H,4,6H2,1-2H3,(H,19,21) | PDB
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| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361556
(CHEMBL1085587)Show SMILES COc1cccc(Cn2ncc3c4sc(cc4n(C)c3c2=O)S(C)=O)c1 Show InChI InChI=1S/C18H17N3O3S2/c1-20-14-8-15(26(3)23)25-17(14)13-9-19-21(18(22)16(13)20)10-11-5-4-6-12(7-11)24-2/h4-9H,10H2,1-3H3 | PDB
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| n/a | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361493
(CHEMBL1939110)Show InChI InChI=1S/C15H11ClF2N2O3S/c16-10-6-9(2-3-11(10)17)20-24(22,23)14-5-8-1-4-15(21)19-13(8)7-12(14)18/h2-3,5-7,20H,1,4H2,(H,19,21) | PDB
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National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361487
(CHEMBL1939116)Show SMILES Cc1ccc(NS(=O)(=O)c2cc3NC(=O)CCc3cc2Cl)cc1Cl Show InChI InChI=1S/C16H14Cl2N2O3S/c1-9-2-4-11(7-12(9)17)20-24(22,23)15-8-14-10(6-13(15)18)3-5-16(21)19-14/h2,4,6-8,20H,3,5H2,1H3,(H,19,21) | PDB
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National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597710
(CHEMBL5201754) | 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)) | BDBM50455475
(CHEMBL1085588)Show SMILES C[S+]([O-])c1cc2n(C)c3c(cnn(Cc4cccc(N)c4)c3=O)c2s1 Show InChI InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3 | PDB
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| n/a | n/a | n/a | n/a | 92 | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description
Activation of recombinant human PKM2 expressed in Escherichia coli BL21 at 4 uM incubated for 50 mins measured over 40 mins |
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)) | BDBM50455475
(CHEMBL1085588)Show SMILES C[S+]([O-])c1cc2n(C)c3c(cnn(Cc4cccc(N)c4)c3=O)c2s1 Show InChI InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3 | 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)) | BDBM50597700
(CHEMBL3732472)Show SMILES OC1(Cc2ccccc2)CN(C1)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 | 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)) | BDBM50361517
(CHEMBL1939085)Show InChI InChI=1S/C16H15ClN2O3S/c1-10-2-4-12(9-14(10)17)19-23(21,22)13-5-6-15-11(8-13)3-7-16(20)18-15/h2,4-6,8-9,19H,3,7H2,1H3,(H,18,20) | PDB
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National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597699
(CHEMBL5170943)Show SMILES [2H]C([2H])(N1CCN(CC1)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)c1cc(F)cc(F)c1 | 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)) | BDBM50597702
(CHEMBL5200796)Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(c2nsnc12)S(=O)(=O)c1cccc2OCCOc12 | 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)) | BDBM50597703
(CHEMBL3727658)Show SMILES OC1(CCN(CC1)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)c1cccc(F)c1F | 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)) | BDBM50361490
(CHEMBL1939113)Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C18H19ClFN3O4S/c1-10(9-24)21-16-8-15-11(2-5-18(25)22-15)6-17(16)28(26,27)23-12-3-4-14(20)13(19)7-12/h3-4,6-8,10,21,23-24H,2,5,9H2,1H3,(H,22,25)/t10-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361495
(CHEMBL1939108)Show InChI InChI=1S/C16H14ClFN2O3S/c1-9-2-4-11(7-12(9)17)20-24(22,23)15-6-10-3-5-16(21)19-14(10)8-13(15)18/h2,4,6-8,20H,3,5H2,1H3,(H,19,21) | PDB
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| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361496
(CHEMBL1939107)Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1 |r| Show InChI InChI=1S/C20H25N3O4S/c1-12-4-6-16(8-13(12)2)23-28(26,27)19-9-15-5-7-20(25)22-17(15)10-18(19)21-14(3)11-24/h4,6,8-10,14,21,23-24H,5,7,11H2,1-3H3,(H,22,25)/t14-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361498
(CHEMBL1939104)Show SMILES Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2NCCO)cc1C Show InChI InChI=1S/C19H23N3O4S/c1-12-3-5-15(9-13(12)2)22-27(25,26)18-10-14-4-6-19(24)21-16(14)11-17(18)20-7-8-23/h3,5,9-11,20,22-23H,4,6-8H2,1-2H3,(H,21,24) | PDB
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| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361507
(CHEMBL1939095)Show InChI InChI=1S/C17H17FN2O3S/c1-10-3-5-13(7-11(10)2)20-24(22,23)16-8-12-4-6-17(21)19-15(12)9-14(16)18/h3,5,7-9,20H,4,6H2,1-2H3,(H,19,21) | PDB
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| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361486
(CHEMBL1939117)Show SMILES CN(C)c1cc2CCC(=O)Nc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1 Show InChI InChI=1S/C19H23N3O3S/c1-12-5-7-15(9-13(12)2)21-26(24,25)18-11-16-14(6-8-19(23)20-16)10-17(18)22(3)4/h5,7,9-11,21H,6,8H2,1-4H3,(H,20,23) | PDB
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| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361506
(CHEMBL1939096)Show SMILES CN(C)c1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1 Show InChI InChI=1S/C19H23N3O3S/c1-12-5-7-15(9-13(12)2)21-26(24,25)18-10-14-6-8-19(23)20-16(14)11-17(18)22(3)4/h5,7,9-11,21H,6,8H2,1-4H3,(H,20,23) | PDB
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| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597713
(CHEMBL5190040)Show SMILES O=C(N1CCN(CC1)c1cnccn1)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1 | 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 |
3D Structure (crystal) |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361496
(CHEMBL1939107)Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1 |r| Show InChI InChI=1S/C20H25N3O4S/c1-12-4-6-16(8-13(12)2)23-28(26,27)19-9-15-5-7-20(25)22-17(15)10-18(19)21-14(3)11-24/h4,6,8-10,14,21,23-24H,5,7,11H2,1-3H3,(H,22,25)/t14-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361492
(CHEMBL1939111)Show InChI InChI=1S/C16H14F2N2O3S/c1-9-6-11(3-4-12(9)17)20-24(22,23)15-7-10-2-5-16(21)19-14(10)8-13(15)18/h3-4,6-8,20H,2,5H2,1H3,(H,19,21) | PDB
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| n/a | n/a | n/a | n/a | 240 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361534
(CHEMBL1311880)Show InChI InChI=1S/C16H16N2O3S/c1-11-3-2-4-13(9-11)18-22(20,21)14-6-7-15-12(10-14)5-8-16(19)17-15/h2-4,6-7,9-10,18H,5,8H2,1H3,(H,17,19) | PDB
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PC sid
UniChem
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| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50597701
(CHEMBL3104587)Show SMILES Oc1ccc(CN(CC2CCC2)C(=O)c2cc(n[nH]2)C(F)(F)F)c(F)c1 | 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)) | BDBM50361508
(CHEMBL1939094)Show InChI InChI=1S/C16H15ClN2O4S/c1-9-3-4-11(5-10(9)2)19-24(21,22)15-7-14-13(6-12(15)17)18-16(20)8-23-14/h3-7,19H,8H2,1-2H3,(H,18,20) | PDB
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| n/a | n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361489
(CHEMBL1939114)Show SMILES C[C@@H](CO)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(F)c(C)c1 |r| Show InChI InChI=1S/C19H22FN3O4S/c1-11-7-14(4-5-15(11)20)23-28(26,27)18-8-13-3-6-19(25)22-16(13)9-17(18)21-12(2)10-24/h4-5,7-9,12,21,23-24H,3,6,10H2,1-2H3,(H,22,25)/t12-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361513
(CHEMBL1939089)Show InChI InChI=1S/C15H12ClFN2O3S/c16-12-8-10(2-4-13(12)17)19-23(21,22)11-3-5-14-9(7-11)1-6-15(20)18-14/h2-5,7-8,19H,1,6H2,(H,18,20) | PDB
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| n/a | n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361529
(CHEMBL1877309)Show InChI InChI=1S/C15H13ClN2O3S/c16-11-2-1-3-12(9-11)18-22(20,21)13-5-6-14-10(8-13)4-7-15(19)17-14/h1-3,5-6,8-9,18H,4,7H2,(H,17,19) | PDB
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| n/a | n/a | n/a | n/a | 410 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361512
(CHEMBL1939090)Show InChI InChI=1S/C16H15FN2O3S/c1-10-8-12(3-5-14(10)17)19-23(21,22)13-4-6-15-11(9-13)2-7-16(20)18-15/h3-6,8-9,19H,2,7H2,1H3,(H,18,20) | PDB
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| n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361504
(CHEMBL1939098)Show SMILES CNc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1 Show InChI InChI=1S/C18H21N3O3S/c1-11-4-6-14(8-12(11)2)21-25(23,24)17-9-13-5-7-18(22)20-15(13)10-16(17)19-3/h4,6,8-10,19,21H,5,7H2,1-3H3,(H,20,22) | PDB
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| n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361509
(CHEMBL1939093)Show InChI InChI=1S/C17H18N2O4S/c1-10-4-5-13(6-11(10)2)19-24(21,22)16-8-15-14(7-12(16)3)18-17(20)9-23-15/h4-8,19H,9H2,1-3H3,(H,18,20) | PDB
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| n/a | n/a | n/a | n/a | 480 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361503
(CHEMBL1939099)Show SMILES Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2N2CCCC2)cc1C Show InChI InChI=1S/C21H25N3O3S/c1-14-5-7-17(11-15(14)2)23-28(26,27)20-12-16-6-8-21(25)22-18(16)13-19(20)24-9-3-4-10-24/h5,7,11-13,23H,3-4,6,8-10H2,1-2H3,(H,22,25) | PDB
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| n/a | n/a | n/a | n/a | 510 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361514
(CHEMBL1939088)Show InChI InChI=1S/C16H15FN2O3S/c1-10-2-4-12(9-14(10)17)19-23(21,22)13-5-6-15-11(8-13)3-7-16(20)18-15/h2,4-6,8-9,19H,3,7H2,1H3,(H,18,20) | PDB
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| n/a | n/a | n/a | n/a | 540 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361515
(CHEMBL1939087)Show InChI InChI=1S/C16H15ClN2O3S/c1-10-8-12(3-5-14(10)17)19-23(21,22)13-4-6-15-11(9-13)2-7-16(20)18-15/h3-6,8-9,19H,2,7H2,1H3,(H,18,20) | PDB
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PubMed
| n/a | n/a | n/a | n/a | 560 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361500
(CHEMBL1939102)Show SMILES CC(C)Nc1cc2NC(=O)CCc2cc1S(=O)(=O)Nc1ccc(C)c(C)c1 Show InChI InChI=1S/C20H25N3O3S/c1-12(2)21-18-11-17-15(6-8-20(24)22-17)10-19(18)27(25,26)23-16-7-5-13(3)14(4)9-16/h5,7,9-12,21,23H,6,8H2,1-4H3,(H,22,24) | PDB
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| n/a | n/a | n/a | n/a | 570 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50361494
(CHEMBL1939109)Show InChI InChI=1S/C16H14ClFN2O3S/c1-9-6-11(3-4-12(9)17)20-24(22,23)15-7-10-2-5-16(21)19-14(10)8-13(15)18/h3-4,6-8,20H,2,5H2,1H3,(H,19,21) | PDB
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| n/a | n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a |
National Human Genome Research Institute
Curated by ChEMBL
| Assay Description
Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay |
Bioorg Med Chem Lett 21: 6322-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.114
BindingDB Entry DOI: 10.7270/Q28C9WQG |
More data for this
Ligand-Target Pair | |
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