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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50287323'   
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-activating protein/Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50287323
PNG
(3-{2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)NC(=O)N(C)O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-11-14-23-22(15-20)25(35-27(3,4)5)24(16-28(6,7)30-26(33)31(8)34)32(23)17-19-9-12-21(29)13-10-19/h9-15,18,34H,16-17H2,1-8H3,(H,30,33)
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PC cid
PC sid
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Article
n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of calcium ionophore (A23187) stimulated LTB4 formation in human neutrophils


Bioorg Med Chem Lett 6: 1547-1552 (1996)


Article DOI: 10.1016/S0960-894X(96)00271-5
BindingDB Entry DOI: 10.7270/Q2DF6R6W
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein/Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50287323
PNG
(3-{2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-i...)
Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)NC(=O)N(C)O)c(SC(C)(C)C)c2c1
Show InChI InChI=1S/C28H38ClN3O2S/c1-18(2)20-11-14-23-22(15-20)25(35-27(3,4)5)24(16-28(6,7)30-26(33)31(8)34)32(23)17-19-9-12-21(29)13-10-19/h9-15,18,34H,16-17H2,1-8H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Human whole blood was stimulated with calcium ionophore (A23187) and LTB 4 measured by enzyme immunoassay


Bioorg Med Chem Lett 6: 1547-1552 (1996)


Article DOI: 10.1016/S0960-894X(96)00271-5
BindingDB Entry DOI: 10.7270/Q2DF6R6W
More data for this
Ligand-Target Pair