BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Pyruvate kinase' AND taxid = 5665   
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


(Leishmania mexicana)
BDBM50270352
PNG
((2S,3S,4S,5R)-N-cycloheptyl-5-((cycloheptylamino)m...)
Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C20H36N2O4/c23-17-16(13-21-14-9-5-1-2-6-10-14)26-19(18(17)24)20(25)22-15-11-7-3-4-8-12-15/h14-19,21,23-24H,1-13H2,(H,22,25)/t16-,17-,18+,19+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270448
PNG
((2S,3S,4S,5R)-5-((cycloheptylamino)methyl)-3,4-dih...)
Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H27N3O6/c23-16-15(11-20-12-6-3-1-2-4-7-12)28-18(17(16)24)19(25)21-13-8-5-9-14(10-13)22(26)27/h5,8-10,12,15-18,20,23-24H,1-4,6-7,11H2,(H,21,25)/t15-,16-,17+,18+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270344
PNG
(2,5-Anhydro-1-deoxy-1-(cycloheptylamino)-D-mannito...)
Show SMILES OC[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H25NO4/c15-8-11-13(17)12(16)10(18-11)7-14-9-5-3-1-2-4-6-9/h9-17H,1-8H2/t10-,11-,12-,13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 7.10E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270341
PNG
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((R)-1-(4-metho...)
Show SMILES COc1ccc(cc1)[C@@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23NO5/c1-9(10-3-5-11(20-2)6-4-10)16-7-12-14(18)15(19)13(8-17)21-12/h3-6,9,12-19H,7-8H2,1-2H3/t9-,12-,13-,14-,15-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.00E+5n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270338
PNG
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-((1,2,3,4-tetrah...)
Show SMILES OC[C@H]1O[C@H](CNC2CCCc3ccccc23)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C16H23NO4/c18-9-14-16(20)15(19)13(21-14)8-17-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12-20H,3,5,7-9H2/t12?,13-,14-,15-,16-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.20E+6n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270349
PNG
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((R)-1-(naphtha...)
Show SMILES C[C@@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23NO4/c1-11(13-7-6-12-4-2-3-5-14(12)8-13)19-9-15-17(21)18(22)16(10-20)23-15/h2-8,11,15-22H,9-10H2,1H3/t11-,15-,16-,17-,18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270343
PNG
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((S)-1-(naphtha...)
Show SMILES C[C@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23NO4/c1-11(13-7-6-12-4-2-3-5-14(12)8-13)19-9-15-17(21)18(22)16(10-20)23-15/h2-8,11,15-22H,9-10H2,1H3/t11-,15+,16+,17+,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270347
PNG
((2R,3S,4S,5R)-2-(((1R,2S,4R)-bicyclo[2.2.1]heptan-...)
Show SMILES OC[C@H]1O[C@H](CN[C@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H23NO4/c15-6-11-13(17)12(16)10(18-11)5-14-9-4-7-1-2-8(9)3-7/h7-17H,1-6H2/t7-,8-,9+,10-,11-,12-,13-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270345
PNG
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((S)-3-methylbu...)
Show SMILES CC(C)[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C11H23NO4/c1-6(2)7(3)12-4-8-10(14)11(15)9(5-13)16-8/h6-15H,4-5H2,1-3H3/t7-,8+,9+,10+,11+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.30E+6n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270474
PNG
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-((pentan-2-ylami...)
Show SMILES CCCC(C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C11H23NO4/c1-3-4-7(2)12-5-8-10(14)11(15)9(6-13)16-8/h7-15H,3-6H2,1-2H3/t7?,8-,9-,10-,11-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.50E+6n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270340
PNG
((2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((S)-1-(4-metho...)
Show SMILES COc1ccc(cc1)[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23NO5/c1-9(10-3-5-11(20-2)6-4-10)16-7-12-14(18)15(19)13(8-17)21-12/h3-6,9,12-19H,7-8H2,1-2H3/t9-,12+,13+,14+,15+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.50E+6n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270449
PNG
((2R,3S,4S,5R)-2-((cyclopentylamino)methyl)-5-(hydr...)
Show SMILES OC[C@H]1O[C@H](CNC2CCCC2)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C11H21NO4/c13-6-9-11(15)10(14)8(16-9)5-12-7-3-1-2-4-7/h7-15H,1-6H2/t8-,9-,10-,11-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.10E+6n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair
Pyruvate kinase


(Leishmania mexicana)
BDBM50270339
PNG
((2R,3S,4S,5R)-2-((cyclobutylamino)methyl)-5-(hydro...)
Show SMILES OC[C@H]1O[C@H](CNC2CCC2)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C10H19NO4/c12-5-8-10(14)9(13)7(15-8)4-11-6-2-1-3-6/h6-14H,1-5H2/t7-,8-,9-,10-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.30E+6n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana pyruvate kinase


Citation and Details
More data for this
Ligand-Target Pair