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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P07382   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidylate synthase (TS)


(Leishmania major)
BDBM50335104
PNG
(3-(5-Amino-[1,3,4]thiadiazol-2-yl)-1-(thiophen-2-y...)
Show SMILES Nc1nnc(CCC(=O)c2cccs2)s1
Show InChI InChI=1S/C9H9N3OS2/c10-9-12-11-8(15-9)4-3-6(13)7-2-1-5-14-7/h1-2,5H,3-4H2,(H2,10,12)
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MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.39E+5n/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major DHFR


J Agric Food Chem 59: 56-61 (2011)


Article DOI: 10.1021/jm1010572
More data for this
Ligand-Target Pair
Thymidylate synthase (TS)


(Leishmania major)
BDBM50335105
PNG
(2-(5-Amino-[1,3,4]thiadiazol-2-yl)-4H-chromen-4-on...)
Show SMILES Nc1nnc(s1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C11H7N3O2S/c12-11-14-13-10(17-11)9-5-7(15)6-3-1-2-4-8(6)16-9/h1-5H,(H2,12,14)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+6n/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major DHFR


J Agric Food Chem 59: 56-61 (2011)


Article DOI: 10.1021/jm1010572
More data for this
Ligand-Target Pair
Thymidylate synthase (TS)


(Leishmania major)
BDBM50335099
PNG
(4-chlorobenzo[d]thiazol-2-amine | CHEMBL1413383)
Show SMILES Nc1nc2c(Cl)cccc2s1
Show InChI InChI=1S/C7H5ClN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
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CHEMBL
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 1.39E+6n/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major DHFR


J Agric Food Chem 59: 56-61 (2011)


Article DOI: 10.1021/jm1010572
More data for this
Ligand-Target Pair
Thymidylate synthase (TS)


(Leishmania major)
BDBM50335097
PNG
(6-(methylsulfonyl)benzo[d]thiazol-2-amine | 6-Meth...)
Show SMILES CS(=O)(=O)c1ccc2nc(N)sc2c1
Show InChI InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)
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Article
PubMed
n/an/a 1.79E+6n/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major DHFR


J Agric Food Chem 59: 56-61 (2011)


Article DOI: 10.1021/jm1010572
More data for this
Ligand-Target Pair
Thymidylate synthase (TS)


(Leishmania major)
BDBM50182880
PNG
(CHEMBL147741 | indole-3-carboxaldehyde)
Show SMILES O=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
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CHEMBL
KEGG
MMDB
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PC sid
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UniChem

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Article
PubMed
n/an/a 2.00E+6n/an/an/an/an/an/a



Rutgers University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major DHFR


J Agric Food Chem 59: 56-61 (2011)


Article DOI: 10.1021/jm1010572
More data for this
Ligand-Target Pair