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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty acid desaturase 2' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Fatty acid desaturase 2


(Mus musculus)
BDBM50259175
PNG
(CHEMBL444433 | N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4...)
Show SMILES OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1
Show InChI InChI=1S/C17H13Cl2N3O3/c18-13-3-1-10(5-14(13)19)7-22-9-20-15-4-2-11(21-16(24)8-23)6-12(15)17(22)25/h1-6,9,23H,7-8H2,(H,21,24)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(6)-desaturase in mouse ABMC7 cells by high throughput radioassay


Bioorg Med Chem Lett 19: 3050-3 (2009)

More data for this
Ligand-Target Pair
Fatty acid desaturase 2


(Mus musculus)
BDBM50259087
PNG
(CHEMBL467716 | benzyl 3-(3,4-dichlorobenzylcarbamo...)
Show SMILES Clc1ccc(CNC(=O)c2cc(NC(=O)OCc3ccccc3)ccc2Oc2cccnc2)cc1Cl
Show InChI InChI=1S/C27H21Cl2N3O4/c28-23-10-8-19(13-24(23)29)15-31-26(33)22-14-20(9-11-25(22)36-21-7-4-12-30-16-21)32-27(34)35-17-18-5-2-1-3-6-18/h1-14,16H,15,17H2,(H,31,33)(H,32,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



CV Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of delta(6)-desaturase in mouse ABMC7 cells by high throughput radioassay


Bioorg Med Chem Lett 19: 3050-3 (2009)

More data for this
Ligand-Target Pair