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BDBM50211918 CHEMBL226187::N-(5-chloro-2-hydroxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide::cid_17252838

SMILES: COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Cl)ccc1O

InChI Key: InChIKey=QCGLANSEHHDGNF-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50211918   
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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50211918
PNG
(CHEMBL226187 | N-(5-chloro-2-hydroxyphenyl)-5-(4-m...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Cl)ccc1O
Show InChI InChI=1S/C17H13ClN2O4/c1-23-12-5-2-10(3-6-12)16-9-14(20-24-16)17(22)19-13-8-11(18)4-7-15(13)21/h2-9,21H,1H3,(H,19,22)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 2.91E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211918
PNG
(CHEMBL226187 | N-(5-chloro-2-hydroxyphenyl)-5-(4-m...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Cl)ccc1O
Show InChI InChI=1S/C17H13ClN2O4/c1-23-12-5-2-10(3-6-12)16-9-14(20-24-16)17(22)19-13-8-11(18)4-7-15(13)21/h2-9,21H,1H3,(H,19,22)
PDB
MMDB

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.50E+4n/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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50211918
PNG
(CHEMBL226187 | N-(5-chloro-2-hydroxyphenyl)-5-(4-m...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Cl)ccc1O
Show InChI InChI=1S/C17H13ClN2O4/c1-23-12-5-2-10(3-6-12)16-9-14(20-24-16)17(22)19-13-8-11(18)4-7-15(13)21/h2-9,21H,1H3,(H,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair