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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Enoyl-acyl-carrier protein reductase' and Ligand = 'BDBM50211905'   
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
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211905
PNG
(4-((3-(4-methoxyphenyl)-4-oxo-2-thioxothiazolidin-...)
Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(C=O)cc2)C1=O
Show InChI InChI=1S/C18H13NO3S2/c1-22-15-8-6-14(7-9-15)19-17(21)16(24-18(19)23)10-12-2-4-13(11-20)5-3-12/h2-11H,1H3/b16-10-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.32E+4n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211905
PNG
(4-((3-(4-methoxyphenyl)-4-oxo-2-thioxothiazolidin-...)
Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(C=O)cc2)C1=O
Show InChI InChI=1S/C18H13NO3S2/c1-22-15-8-6-14(7-9-15)19-17(21)16(24-18(19)23)10-12-2-4-13(11-20)5-3-12/h2-11H,1H3/b16-10-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.44E+4n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211905
PNG
(4-((3-(4-methoxyphenyl)-4-oxo-2-thioxothiazolidin-...)
Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(C=O)cc2)C1=O
Show InChI InChI=1S/C18H13NO3S2/c1-22-15-8-6-14(7-9-15)19-17(21)16(24-18(19)23)10-12-2-4-13(11-20)5-3-12/h2-11H,1H3/b16-10-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair