new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'tulloch' and Initial = 'lb'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31801
PNG
(2-aminobenzimidazole deriv., 12)
Show SMILES Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
7 -46.2n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pteridine reductase 1


(Leishmania major)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
39n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31800
PNG
(2-aminobenzimidazole deriv., 11)
Show SMILES CCCOc1cccc2nc(N)n(Cc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C17H17Cl2N3O/c1-2-8-23-15-5-3-4-14-16(15)22(17(20)21-14)10-11-6-7-12(18)13(19)9-11/h3-7,9H,2,8,10H2,1H3,(H2,20,21)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
47 -41.5n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pteridine reductase 1


(Leishmania major)
BDBM50303504
PNG
(2,4-diamino-6,7-diisopropylpteridin-1-ium | 6,7-bi...)
Show SMILES CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C
Show InChI InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
240n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31798
PNG
(2-aminobenzimidazole deriv., 9)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
400 -36.3n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31799
PNG
(2-aminobenzimidazole deriv., 10)
Show SMILES Nc1nc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl3N3/c15-9-5-4-8(6-11(9)17)7-20-13-10(16)2-1-3-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
510 -35.7n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pteridine reductase 1


(Leishmania major)
BDBM50303518
PNG
(2,4-diamino-6-(benzylthio)pyrimidin-1-ium | 6-(ben...)
Show SMILES Nc1cc(SCc2ccccc2)nc(N)n1
Show InChI InChI=1S/C11H12N4S/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
600n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303514
PNG
(2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro...)
Show SMILES Nc1nc2[nH]c(c(C#N)c2c(=O)[nH]1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C14H9N5O3/c15-4-7-10-12(18-14(16)19-13(10)20)17-11(7)6-1-2-8-9(3-6)22-5-21-8/h1-3H,5H2,(H4,16,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303519
PNG
(6-[(4'-Methoxybenzyl)sulfanyl]-2,4-pyrimidinediami...)
Show SMILES COc1ccc(CSc2cc(N)nc(N)n2)cc1
Show InChI InChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM6644
PNG
(6‐phenylpteridine‐2,4,7‐triamine...)
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1
Show InChI InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303512
PNG
(2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-p...)
Show SMILES COc1ccc(cc1)-c1[nH]c2nc(N)[nH]c(=O)c2c1C#N
Show InChI InChI=1S/C14H11N5O2/c1-21-8-4-2-7(3-5-8)11-9(6-15)10-12(17-11)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303513
PNG
(2-amino-6-(3-formylphenyl)-4-oxo-4,7-dihydro-3H-py...)
Show SMILES Nc1nc2[nH]c(c(C#N)c2c(=O)[nH]1)-c1cccc(C=O)c1
Show InChI InChI=1S/C14H9N5O2/c15-5-9-10-12(18-14(16)19-13(10)21)17-11(9)8-3-1-2-7(4-8)6-20/h1-4,6H,(H4,16,17,18,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31795
PNG
(2-aminobenzimidazole deriv., 6)
Show SMILES Cc1cccc(c1)-c1ccc2nc(N)[nH]c2c1
Show InChI InChI=1S/C14H13N3/c1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)17-14(15)16-12/h2-8H,1H3,(H3,15,16,17)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
9.80E+3 -28.4n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31794
PNG
(2-aminobenzimidazole deriv., 4 | 5-Chloro-1H-benzo...)
Show SMILES Nc1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
1.06E+4 -28.2n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pteridine reductase 1


(Leishmania major)
BDBM50303505
PNG
(6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine |...)
Show SMILES CC1=Nc2c(N)nc(N)nc2NC1(C)C |t:1|
Show InChI InChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303511
PNG
(2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyr...)
Show SMILES CCc1ccc(cc1)-c1[nH]c2nc(N)[nH]c(=O)c2c1C#N
Show InChI InChI=1S/C15H13N5O/c1-2-8-3-5-9(6-4-8)12-10(7-16)11-13(18-12)19-15(17)20-14(11)21/h3-6H,2H2,1H3,(H4,17,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.64E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31791
PNG
(2-aminobenzothiazole deriv., 2)
Show SMILES COC(=O)c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
2.11E+4 -26.5n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31797
PNG
(2-aminobenzimidazole deriv., 8)
Show SMILES Nc1nc2ccccc2n1CCc1ccccc1
Show InChI InChI=1S/C15H15N3/c16-15-17-13-8-4-5-9-14(13)18(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
2.39E+4 -26.2n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pteridine reductase 1


(Leishmania major)
BDBM50028122
PNG
(2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2[nH]ccc2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
>2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303506
PNG
(2-amino-3H-pyrrolo[2,3-d]pyrimidine-4(7H)-thione |...)
Show SMILES Nc1nc2[nH]ccc2c(=S)[nH]1
Show InChI InChI=1S/C6H6N4S/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303507
PNG
(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimid...)
Show SMILES Nc1nc2[nH]cc(C#N)c2c(=O)[nH]1
Show InChI InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
>2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303508
PNG
(2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2...)
Show SMILES Nc1nc2[nH]cc(CCc3ccccc3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14N4O/c15-14-17-12-11(13(19)18-14)10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
>2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303509
PNG
(2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d...)
Show SMILES Nc1nc2[nH]c(Br)c(C#N)c2c(=O)[nH]1
Show InChI InChI=1S/C7H4BrN5O/c8-4-2(1-9)3-5(11-4)12-7(10)13-6(3)14/h(H4,10,11,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
>2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303510
PNG
(2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]c(c(C#N)c2c(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C13H9N5O/c14-6-8-9-11(17-13(15)18-12(9)19)16-10(8)7-4-2-1-3-5-7/h1-5H,(H4,15,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
>2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303515
PNG
(2,4,6-triaminopyrimidin-1-ium | CHEMBL571518 | PYR...)
Show SMILES Nc1cc(N)nc(N)n1
Show InChI InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
>2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303517
PNG
(2,4-diamino-6-(p-tolylthio)pyrimidin-1-ium | 6-[(4...)
Show SMILES Cc1ccc(Sc2cc(N)nc(N)n2)cc1
Show InChI InChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)16-10-6-9(12)14-11(13)15-10/h2-6H,1H3,(H4,12,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50303516
PNG
(2,4-diamino-6-(cyclopropylamino)pyrimidin-1-ium | ...)
Show SMILES Nc1cc(NC2CC2)nc(N)n1
Show InChI InChI=1S/C7H11N5/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H5,8,9,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.70E+4n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PTR1


J Med Chem 53: 221-9 (2010)


Article DOI: 10.1021/jm901059x
BindingDB Entry DOI: 10.7270/Q2H132XP
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31793
PNG
(2-aminobenzothiazole deriv., 3)
Show SMILES Nc1nc2ccc(cc2s1)C(=O)N1CCCCC1
Show InChI InChI=1S/C13H15N3OS/c14-13-15-10-5-4-9(8-11(10)18-13)12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
1.41E+5 -21.8n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31796
PNG
(2-aminobenzimidazole deriv., 7)
Show SMILES CCn1c(N)nc2ccccc12
Show InChI InChI=1S/C9H11N3/c1-2-12-8-6-4-3-5-7(8)11-9(12)10/h3-6H,2H2,1H3,(H2,10,11)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
>2.00E+5>-21.0n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM7960
PNG
(1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole ...)
Show SMILES Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
2.88E+5 -20.1n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50270350
PNG
(2,5-Anhydro-1-deoxy-1-(3,4-dichlorobenzylamino)-D-...)
Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C20H20Cl4N2O4/c21-12-3-1-10(5-14(12)23)7-25-9-16-17(27)18(28)19(30-16)20(29)26-8-11-2-4-13(22)15(24)6-11/h1-6,16-19,25,27-28H,7-9H2,(H,26,29)/t16-,17-,18+,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
More data for this
Ligand-Target Pair
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
More data for this
Ligand-Target Pair
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50270447
PNG
((2S,3S,4S,5R)-N-(3,4-dichlorobenzyl)-5-((cyclohept...)
Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)NCc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C20H28Cl2N2O4/c21-14-8-7-12(9-15(14)22)10-24-20(27)19-18(26)17(25)16(28-19)11-23-13-5-3-1-2-4-6-13/h7-9,13,16-19,23,25-26H,1-6,10-11H2,(H,24,27)/t16-,17-,18+,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
More data for this
Ligand-Target Pair
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50270348
PNG
((2S,3S,4S,5R)-5-((3,4-dichlorobenzylamino)methyl)-...)
Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNCc1ccc(Cl)c(Cl)c1)C(=O)NCC=C |r|
Show InChI InChI=1S/C16H20Cl2N2O4/c1-2-5-20-16(23)15-14(22)13(21)12(24-15)8-19-7-9-3-4-10(17)11(18)6-9/h2-4,6,12-15,19,21-22H,1,5,7-8H2,(H,20,23)/t12-,13-,14+,15+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
More data for this
Ligand-Target Pair
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50270351
PNG
((2S,3S,4S,5R)-5-((3,4-dichlorobenzylamino)methyl)-...)
Show SMILES O[C@H]1[C@H](O)[C@H](O[C@@H]1CNCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1 |r|
Show InChI InChI=1S/C20H28Cl2N2O4/c21-14-8-7-12(9-15(14)22)10-23-11-16-17(25)18(26)19(28-16)20(27)24-13-5-3-1-2-4-6-13/h7-9,13,16-19,23,25-26H,1-6,10-11H2,(H,24,27)/t16-,17-,18+,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
More data for this
Ligand-Target Pair
6-phospho-1-fructokinase


(Trypanosoma brucei)
BDBM50270460
PNG
(2,5-Anhydro-1-deoxy-1-(3,4-dichlorobenzylamino)-D-...)
Show SMILES OC[C@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H17Cl2NO4/c14-8-2-1-7(3-9(8)15)4-16-5-10-12(18)13(19)11(6-17)20-10/h1-3,10-13,16-19H,4-6H2/t10-,11-,12-,13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10E+5n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei phosphofructokinase


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
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 |r|
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
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


Bioorg Med Chem 16: 5050-61 (2008)


Article DOI: 10.1016/j.bmc.2008.03.045
BindingDB Entry DOI: 10.7270/Q21J99JR
More data for this
Ligand-Target Pair