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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'froes' and Initial = 'tq'   
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


(Leishmania major)
BDBM50245821
PNG
(CHEMBL4080301)
Show SMILES Cc1sc2ncnc(N\N=C\c3ccccc3)c2c1C
Show InChI InChI=1S/C15H14N4S/c1-10-11(2)20-15-13(10)14(16-9-17-15)19-18-8-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,19)/b18-8+
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.23E+4n/an/an/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major PTR1 using biopterin as substrate and NADPH as cofactor by spectrofluorimetric method


Eur J Med Chem 132: 322-332 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.043
BindingDB Entry DOI: 10.7270/Q20V8G6R
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50207231
PNG
(CHEMBL3905744)
Show SMILES Oc1c(Br)cc(Cl)cc1\C=C1/SC(=O)NC1=O
Show InChI InChI=1S/C10H5BrClNO3S/c11-6-3-5(12)1-4(8(6)14)2-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)/b7-2-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.47E+4n/an/an/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant N-terminal hexa-His tagged PTR1 catalytic activity expressed in Escherichia coli BL21(DE3) using biopterin...


Eur J Med Chem 123: 639-648 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.060
BindingDB Entry DOI: 10.7270/Q23B624W
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50207232
PNG
(CHEMBL3933757)
Show SMILES Oc1ccc(Cl)cc1\C=C1/SC(=O)NC1=O
Show InChI InChI=1S/C10H6ClNO3S/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)/b8-4-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.59E+4n/an/an/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant N-terminal hexa-His tagged PTR1 catalytic activity expressed in Escherichia coli BL21(DE3) using biopterin...


Eur J Med Chem 123: 639-648 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.060
BindingDB Entry DOI: 10.7270/Q23B624W
More data for this
Ligand-Target Pair
Pteridine reductase 1


(Leishmania major)
BDBM50207230
PNG
(CHEMBL3942723)
Show SMILES Fc1cccc(Br)c1\C=C1/SC(=O)NC1=O
Show InChI InChI=1S/C10H5BrFNO2S/c11-6-2-1-3-7(12)5(6)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)/b8-4-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.89E+5n/an/an/an/an/an/a



Universidade Estadual de Feira de Santana

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant N-terminal hexa-His tagged PTR1 catalytic activity expressed in Escherichia coli BL21(DE3) using biopterin...


Eur J Med Chem 123: 639-648 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.060
BindingDB Entry DOI: 10.7270/Q23B624W
More data for this
Ligand-Target Pair