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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase' and Ligand = 'BDBM50446680'   
Target/Host
(Institution)
LigandTarget/Host
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446680
PNG
(CHEMBL3113618)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12
Show InChI InChI=1S/C28H23N3O6S/c1-17-10-12-19(13-11-17)38(36,37)31-16-22(21-7-3-5-9-25(21)31)26(32)27(33)30-24(28(34)35)14-18-15-29-23-8-4-2-6-20(18)23/h2-13,15-16,24,29H,14H2,1H3,(H,30,33)(H,34,35)/t24-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
9.90n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


Article DOI: 10.1016/j.bmc.2014.01.027
BindingDB Entry DOI: 10.7270/Q2KH0PT3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446680
PNG
(CHEMBL3113618)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(O)=O)c2ccccc12
Show InChI InChI=1S/C28H23N3O6S/c1-17-10-12-19(13-11-17)38(36,37)31-16-22(21-7-3-5-9-25(21)31)26(32)27(33)30-24(28(34)35)14-18-15-29-23-8-4-2-6-20(18)23/h2-13,15-16,24,29H,14H2,1H3,(H,30,33)(H,34,35)/t24-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA


Bioorg Med Chem 22: 1642-8 (2014)


Article DOI: 10.1016/j.bmc.2014.01.027
BindingDB Entry DOI: 10.7270/Q2KH0PT3
More data for this
Ligand-Target Pair