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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' and Ligand = 'BDBM50078145'   
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


(Homo sapiens (Human))
BDBM50078145
PNG
(CHEMBL3417530)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C24H28N8O/c1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3/h4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
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PC sid
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Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50078145
PNG
(CHEMBL3417530)
Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Show InChI InChI=1S/C24H28N8O/c1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3/h4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...


J Med Chem 58: 1669-90 (2015)


Article DOI: 10.1021/jm501185j
BindingDB Entry DOI: 10.7270/Q2SB47GW
More data for this
Ligand-Target Pair