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BDBM50241360 CHEMBL442427::igernellin

SMILES: C\C(CCC1C(C)=CCCC1(C)C)=C/CCC(CO)CCCc1ccoc1

InChI Key: InChIKey=UJVZMYQCMKGVLL-DNTJNYDQSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50241360   
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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50241360
PNG
(CHEMBL442427 | igernellin)
Show SMILES C\C(CCC1C(C)=CCCC1(C)C)=C/CCC(CO)CCCc1ccoc1 |c:6|
Show InChI InChI=1S/C25H40O2/c1-20(13-14-24-21(2)9-7-16-25(24,3)4)8-5-10-22(18-26)11-6-12-23-15-17-27-19-23/h8-9,15,17,19,22,24,26H,5-7,10-14,16,18H2,1-4H3/b20-8+
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human reticulocyte 15-lipoxygenase


J Nat Prod 66: 230-5 (2003)


Article DOI: 10.1021/np020462l
BindingDB Entry DOI: 10.7270/Q25X29TQ
More data for this
Ligand-Target Pair