Found 50 hits Enz. Inhib. hit(s) with Target = 'Pyruvate kinase PKLR' 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 PKLR
(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
KEGG
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B.MOAD
DrugBank
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.10E+3 | 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 Mycobacterium lufu |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367052
(CHEMBL605425)Show SMILES CCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H22N6O10P2/c1-2-3-15-13-18-7-10(14)16-5-17-11(7)19(13)12-9(21)8(20)6(28-12)4-27-31(25,26)29-30(22,23)24/h5-6,8-9,12,20-21H,2-4H2,1H3,(H,15,18)(H,25,26)(H2,14,16,17)(H2,22,23,24)/t6-,8-,9-,12?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat kidney pyruvate kinase (PK-L) |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50028624
(CHEMBL3142978 | [6-(6-amino-9H-purin-9-yl)-2-methy...)Show SMILES CC1O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H17N5O10P2/c1-5-24-8-6(2-23-29(21,22)27-28(18,19)20)26-12(9(8)25-5)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,12H,2H2,1H3,(H,21,22)(H2,13,14,15)(H2,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver pyruvate kinase (PK-L) at 3.6 mM |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367051
(CHEMBL606059)Show SMILES CCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H20N6O10P2/c1-2-14-12-17-6-9(13)15-4-16-10(6)18(12)11-8(20)7(19)5(27-11)3-26-30(24,25)28-29(21,22)23/h4-5,7-8,11,19-20H,2-3H2,1H3,(H,14,17)(H,24,25)(H2,13,15,16)(H2,21,22,23)/t5-,7-,8-,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K) |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367051
(CHEMBL606059)Show SMILES CCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H20N6O10P2/c1-2-14-12-17-6-9(13)15-4-16-10(6)18(12)11-8(20)7(19)5(27-11)3-26-30(24,25)28-29(21,22)23/h4-5,7-8,11,19-20H,2-3H2,1H3,(H,14,17)(H,24,25)(H2,13,15,16)(H2,21,22,23)/t5-,7-,8-,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat muscle pyruvate kinase (PK-M) |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367051
(CHEMBL606059)Show SMILES CCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H20N6O10P2/c1-2-14-12-17-6-9(13)15-4-16-10(6)18(12)11-8(20)7(19)5(27-11)3-26-30(24,25)28-29(21,22)23/h4-5,7-8,11,19-20H,2-3H2,1H3,(H,14,17)(H,24,25)(H2,13,15,16)(H2,21,22,23)/t5-,7-,8-,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K) |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367052
(CHEMBL605425)Show SMILES CCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C13H22N6O10P2/c1-2-3-15-13-18-7-10(14)16-5-17-11(7)19(13)12-9(21)8(20)6(28-12)4-27-31(25,26)29-30(22,23)24/h5-6,8-9,12,20-21H,2-4H2,1H3,(H,15,18)(H,25,26)(H2,14,16,17)(H2,22,23,24)/t6-,8-,9-,12?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory constant for inhibition of pyruvate kinase obtained from rat liver (PK-L) was determined using ADP as competitive inhibitor |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367054
(CHEMBL606476)Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H19N5O10P2S/c1-2-30-12-16-6-9(13)14-4-15-10(6)17(12)11-8(19)7(18)5(26-11)3-25-29(23,24)27-28(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H,23,24)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K) at 6.7 mM |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50028624
(CHEMBL3142978 | [6-(6-amino-9H-purin-9-yl)-2-methy...)Show SMILES CC1O[C@@H]2[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H17N5O10P2/c1-5-24-8-6(2-23-29(21,22)27-28(18,19)20)26-12(9(8)25-5)17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,12H,2H2,1H3,(H,21,22)(H2,13,14,15)(H2,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat liver pyruvate kinase (PK-L); (relative inhibitory potency) |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367053
(CHEMBL605428)Show SMILES CSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H17N5O10P2S/c1-29-11-15-5-8(12)13-3-14-9(5)16(11)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t4-,6-,7-,10?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat muscle pyruvate kinase (PK-M) at 6.7 mM |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367050
(CHEMBL606006)Show SMILES C[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H17N5O10P2/c1-4(25-28(22,23)26-27(19,20)21)8-6(17)7(18)11(24-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t4-,6+,7-,8-,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K) |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50028625
(CHEMBL3142968 | [5-(6-amino-9H-purin-9-yl)-4-hydro...)Show SMILES CO[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H17N5O10P2/c1-23-8-5(2-24-28(21,22)26-27(18,19)20)25-11(7(8)17)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H2,12,13,14)(H2,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory constant for inhibition of pyruvate kinase obtained from rat liver (PK-L) was determined using ADP as competitive inhibitor |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367053
(CHEMBL605428)Show SMILES CSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H17N5O10P2S/c1-29-11-15-5-8(12)13-3-14-9(5)16(11)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t4-,6-,7-,10?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory constant for inhibition of pyruvate kinase obtained from rat liver (PK-L) was determined using ADP as competitive inhibitor |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367050
(CHEMBL606006)Show SMILES C[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H17N5O10P2/c1-4(25-28(22,23)26-27(19,20)21)8-6(17)7(18)11(24-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t4-,6+,7-,8-,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Michaelis-Menten constant for inhibition of rat kidney pyruvate kinase (PK-K) |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367054
(CHEMBL606476)Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H19N5O10P2S/c1-2-30-12-16-6-9(13)14-4-15-10(6)17(12)11-8(19)7(18)5(26-11)3-25-29(23,24)27-28(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H,23,24)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory constant for inhibition of pyruvate kinase obtained from rat liver (PK-L) was determined using ADP as competitive inhibitor |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50367050
(CHEMBL606006)Show SMILES C[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H17N5O10P2/c1-4(25-28(22,23)26-27(19,20)21)8-6(17)7(18)11(24-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t4-,6+,7-,8-,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.09E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K) at 6.7 mM |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50028625
(CHEMBL3142968 | [5-(6-amino-9H-purin-9-yl)-4-hydro...)Show SMILES CO[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C11H17N5O10P2/c1-23-8-5(2-24-28(21,22)26-27(18,19)20)25-11(7(8)17)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H2,12,13,14)(H2,18,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K) |
J Med Chem 25: 1184-8 (1983)
BindingDB Entry DOI: 10.7270/Q21N81PW |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596765
(CHEMBL5204170)Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S(=O)(=O)N1CCNCC1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596761
(CHEMBL5209097)Show SMILES OC(=O)C1CCCN(C1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596751
(CHEMBL5176753)Show SMILES OC(=O)CNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50143419
(CHEMBL175336 | Sodium; 3,4-dihydroxy-9,10-dioxo-9,...)Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O Show InChI InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)/p-1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596768
(CHEMBL5208105)Show SMILES OC(=O)CC(O)(CC(=O)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596767
(CHEMBL5176181)Show SMILES OC(=O)Cc1ccc(CNC(=O)N2CCN(CC2)S(=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1C(O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596760
(CHEMBL5181251)Show SMILES OC(=O)Cc1ccc(CNS(=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1C(O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596766
(CHEMBL5204537)Show SMILES OC(=O)CC[C@H](NC(=O)N1CCN(CC1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596759
(CHEMBL5188496)Show SMILES OC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596755
(CHEMBL5183208)Show SMILES OC[C@H](NS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596756
(CHEMBL5186564)Show SMILES COC[C@H](NS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596764
(CHEMBL5206382)Show SMILES OC(=O)CC[C@H](NC(=O)C1CCCN(C1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596773
(CHEMBL5195754)Show SMILES OC(=O)Cc1ccc(CNc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1C(O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596757
(CHEMBL5186706)Show SMILES CSCCC(NS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596771
(CHEMBL5181273)Show SMILES [Na;v0+].[#8]-c1c(-[#8])c2-[#6](=O)-c3ccccc3-[#6](=O)-c2cc1-[#6](-[#8-])=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596772
(CHEMBL5200212)Show SMILES OC(=O)Cc1ccc(CNC(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1C(O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596763
(CHEMBL5198643)Show SMILES OC(=O)C[C@H](NC(=O)C1CCCN(C1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(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
KEGG
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DrugBank
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+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 Escherichia coli |
J Med Chem 44: 4288-91 (2001)
Article DOI: 10.1021/jm010948j |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596774
(CHEMBL5177546)Show SMILES OC(=O)CC(Nc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)C(O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596770
(CHEMBL5170574)Show SMILES [Na;v0+].[#8]-c1cc2-[#6](=O)-c3ccccc3-[#6](=O)-c2cc1S([#8-])(=O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596775
(CHEMBL5169856)Show SMILES OC(=O)Cc1ccc(CNc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)cc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
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 PKLR
(Homo sapiens (Human)) | BDBM50596758
(CHEMBL5172724)Show SMILES OC(=O)CNC(=O)CNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596762
(CHEMBL5170819)Show SMILES OC(=O)C1CCN(CC1)S(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596752
(CHEMBL5172682)Show SMILES OC(=O)CCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596769
(CHEMBL5193313)Show SMILES [Na;v0+].[#8]-c1cc(cc2-[#6](=O)-c3ccccc3-[#6](=O)-c12)S([#8-])(=O)=O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596753
(CHEMBL5209293)Show SMILES OC(=O)CCCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
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 PKLR
(Homo sapiens (Human)) | BDBM50029022
(CHEMBL3339205)Show SMILES [O-][N+](=O)c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1 Show InChI InChI=1S/C18H15N3O2/c22-21(23)14-7-8-16-13(11-20-18(16)9-14)6-5-12-10-19-17-4-2-1-3-15(12)17/h1-4,7-11,19-20H,5-6H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia
Curated by ChEMBL
| Assay Description
Inhibition of purified human N-terminal His-tagged PK-R by LDH-coupled continuous assay |
Bioorg Med Chem Lett 24: 5059-62 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.010
BindingDB Entry DOI: 10.7270/Q24J0GQK |
More data for this
Ligand-Target Pair | |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50596754
(CHEMBL5188932)Show SMILES OC(=O)CCCCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114270
BindingDB Entry DOI: 10.7270/Q2VX0MJ9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Pyruvate kinase PKLR
(Homo sapiens (Human)) | BDBM50029022
(CHEMBL3339205)Show SMILES [O-][N+](=O)c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1 Show InChI InChI=1S/C18H15N3O2/c22-21(23)14-7-8-16-13(11-20-18(16)9-14)6-5-12-10-19-17-4-2-1-3-15(12)17/h1-4,7-11,19-20H,5-6H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia
Curated by ChEMBL
| Assay Description
Inhibition of purified human N-terminal His-tagged PK-L by LDH-coupled continuous assay |
Bioorg Med Chem Lett 24: 5059-62 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.010
BindingDB Entry DOI: 10.7270/Q24J0GQK |
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 | |
Pyruvate kinase PKLR
(Rattus norvegicus) | BDBM50016876
(CHEMBL3278432)Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCCCCCCCNC(=O)CI)ncnc12 |r| Show InChI InChI=1S/C20H33IN6O11P2/c21-9-14(28)22-7-5-3-1-2-4-6-8-23-18-15-19(25-11-24-18)27(12-26-15)20-17(30)16(29)13(37-20)10-36-40(34,35)38-39(31,32)33/h11-13,16-17,20,29-30H,1-10H2,(H,22,28)(H,34,35)(H,23,24,25)(H2,31,32,33)/t13-,16-,17-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 3.60E+7 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to Sprague-Dawley rat pyruvate kinase L assessed as apprent enzyme-inhibitor dissociation constant using PEP as substrate by spectro... |
J Med Chem 21: 1137-40 (1979)
BindingDB Entry DOI: 10.7270/Q2571DKJ |
More data for this
Ligand-Target Pair | |
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