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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingolipid delta(4)-desaturase DES1' AND taxid = 9606   
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
Sphingolipid delta(4)-desaturase DES1


(Homo sapiens)
BDBM50382314
PNG
(CHEMBL2024680)
Show SMILES CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)CCCCCCC
Show InChI InChI=1S/C25H49NO2S/c1-3-5-7-9-10-11-12-13-14-16-18-21-29-22-20-24(23-27)26-25(28)19-17-15-8-6-4-2/h20,22,24,27H,3-19,21,23H2,1-2H3,(H,26,28)/b22-20+/t24-/m1/s1
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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.81E+4n/an/an/an/an/an/a



Institute for Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of Des1 in human A549 cells assessed as formation of CerC6NBD from dhCerC6NBD after 4 hrs by HPLC-FD analysis


Citation and Details
More data for this
Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1


(Homo sapiens)
BDBM50382314
PNG
(CHEMBL2024680)
Show SMILES CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)CCCCCCC
Show InChI InChI=1S/C25H49NO2S/c1-3-5-7-9-10-11-12-13-14-16-18-21-29-22-20-24(23-27)26-25(28)19-17-15-8-6-4-2/h20,22,24,27H,3-19,21,23H2,1-2H3,(H,26,28)/b22-20+/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.88E+4n/an/an/an/an/an/a



Institute for Advanced Chemistry of Catalonia

Curated by ChEMBL


Assay Description
Inhibition of Des1 in human HCT116 cells assessed as formation of CerC6NBD from dhCerC6NBD after 4 hrs by HPLC-FD analysis


Citation and Details
More data for this
Ligand-Target Pair