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BDBM50174774 2‐({[3‐chloro‐4‐(4‐chloro‐2‐ hydroxyphenoxy)phenyl]amino}methyl)benzonitrile (10)::2-((3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenylamino)methyl)benzonitrile::CHEMBL200492

SMILES: Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2C#N)cc1Cl

InChI Key: InChIKey=VIBJLVSRNLWMPR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50174774   
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
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50174774
PNG
(2‐({[3‐chloro‐4‐(4‐c...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2C#N)cc1Cl
Show InChI InChI=1S/C20H14Cl2N2O2/c21-15-5-7-20(18(25)9-15)26-19-8-6-16(10-17(19)22)24-12-14-4-2-1-3-13(14)11-23/h1-10,24-25H,12H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 560n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of PfENR enzymatic activity


Bioorg Med Chem Lett 15: 5247-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.044
BindingDB Entry DOI: 10.7270/Q2NC60RF
More data for this
Ligand-Target Pair
Enoyl-acyl carrier reductase


(Toxoplasma gondii)
BDBM50174774
PNG
(2‐({[3‐chloro‐4‐(4‐c...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2C#N)cc1Cl
Show InChI InChI=1S/C20H14Cl2N2O2/c21-15-5-7-20(18(25)9-15)26-19-8-6-16(10-17(19)22)24-12-14-4-2-1-3-13(14)11-23/h1-10,24-25H,12H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/a7.5n/a



Johns Hopkins Bloomberg School of Public Health



Assay Description
The reaction mixture (100 µL) contained 100 µM crotonyl-CoA, 1 µL DMSO (or compounds dissolved in DMSO), 5 nM TgENR, 100 mM sodium/pot...


Biochemistry 52: 9155-66 (2013)


Article DOI: 10.1021/bi400945y
BindingDB Entry DOI: 10.7270/Q2PV6J27
More data for this
Ligand-Target Pair