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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 50045665   
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


(Rattus norvegicus)
BDBM50045665
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-3-oxo-6-(5-phenyl-...)
Show SMILES C[C@@H]1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1=O)c23
Show InChI InChI=1S/C35H33ClN2O4S/c1-22-17-28-31(42-21-27-14-11-25(19-37-27)24-7-5-4-6-8-24)16-15-29-32(28)33(43(22)41)30(18-35(2,3)34(39)40)38(29)20-23-9-12-26(36)13-10-23/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,39,40)/t22-,43?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50045665
PNG
(3-[1-(4-Chloro-benzyl)-4-methyl-3-oxo-6-(5-phenyl-...)
Show SMILES C[C@@H]1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4ccc(Cl)cc4)c(CC(C)(C)C(O)=O)c(S1=O)c23
Show InChI InChI=1S/C35H33ClN2O4S/c1-22-17-28-31(42-21-27-14-11-25(19-37-27)24-7-5-4-6-8-24)16-15-29-32(28)33(43(22)41)30(18-35(2,3)34(39)40)38(29)20-23-9-12-26(36)13-10-23/h4-16,19,22H,17-18,20-21H2,1-3H3,(H,39,40)/t22-,43?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 830n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair