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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-lipoxygenase/FLAP' and Ligand = 'BDBM50078036'   
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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078036
PNG
(CHEMBL3417428)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N7O/c20-18-21-8-13(9-22-18)12-2-4-15(5-3-12)19(6-1-7-19)17-25-16(27-26-17)14-10-23-24-11-14/h2-5,8-11H,1,6-7H2,(H,23,24)(H2,20,21,22)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/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
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50078036
PNG
(CHEMBL3417428)
Show SMILES Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N7O/c20-18-21-8-13(9-22-18)12-2-4-15(5-3-12)19(6-1-7-19)17-25-16(27-26-17)14-10-23-24-11-14/h2-5,8-11H,1,6-7H2,(H,23,24)(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/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