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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Pyruvate kinase isozymes R/L' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367052
PNG
(CHEMBL605425)
Show SMILES CCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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1.60E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat kidney pyruvate kinase (PK-L)


J Med Chem 25: 1184-8 (1983)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50028624
PNG
(CHEMBL17920 | [6-(6-amino-9H-purin-9-yl)-2-methylt...)
Show SMILES CC1OC2C(COP(O)(=O)OP(O)(O)=O)OC(C2O1)n1cnc2c(N)ncnc12
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)
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2.20E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver pyruvate kinase (PK-L) at 7.2 mM


J Med Chem 25: 1184-8 (1983)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367051
PNG
(CHEMBL606059)
Show SMILES CCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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2.20E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367051
PNG
(CHEMBL606059)
Show SMILES CCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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2.20E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367051
PNG
(CHEMBL606059)
Show SMILES CCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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2.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K)


J Med Chem 25: 1184-8 (1983)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367052
PNG
(CHEMBL605425)
Show SMILES CCCNc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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3.80E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367054
PNG
(CHEMBL606476)
Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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3.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K)


J Med Chem 25: 1184-8 (1983)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50028624
PNG
(CHEMBL17920 | [6-(6-amino-9H-purin-9-yl)-2-methylt...)
Show SMILES CC1OC2C(COP(O)(=O)OP(O)(O)=O)OC(C2O1)n1cnc2c(N)ncnc12
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)
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4.60E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367053
PNG
(CHEMBL605428)
Show SMILES CSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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5.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K)


J Med Chem 25: 1184-8 (1983)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367050
PNG
(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
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
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5.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat liver pyruvate kinase (PK-L) at 10.7 mM


J Med Chem 25: 1184-8 (1983)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50028625
PNG
(CHEMBL17907 | [5-(6-amino-9H-purin-9-yl)-4-hydroxy...)
Show SMILES COC1C(COP(O)(=O)OP(O)(O)=O)OC(C1O)n1cnc2c(N)ncnc12
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)
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7.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat kidney pyruvate kinase (PK-K)


J Med Chem 25: 1184-8 (1983)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367053
PNG
(CHEMBL605428)
Show SMILES CSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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7.50E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367050
PNG
(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
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
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8.00E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367054
PNG
(CHEMBL606476)
Show SMILES CCSc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
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
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8.40E+6n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50367050
PNG
(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
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
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1.09E+7n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50028625
PNG
(CHEMBL17907 | [5-(6-amino-9H-purin-9-yl)-4-hydroxy...)
Show SMILES COC1C(COP(O)(=O)OP(O)(O)=O)OC(C1O)n1cnc2c(N)ncnc12
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)
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3.20E+7n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Pyruvate kinase isozymes R/L


(Rattus norvegicus)
BDBM50016876
PNG
(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
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
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n/an/an/a 3.60E+7n/an/an/an/an/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)

More data for this
Ligand-Target Pair