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BDBM50383913 CHEMBL2031654

SMILES: CCn1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1

InChI Key: InChIKey=BNNWSHWCWQPLKG-XGUOVMTBNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50383913   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50383913
PNG
(CHEMBL2031654)
Show SMILES CCn1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1
Show InChI InChI=1/C32H31N5O/c1-2-37-35-31(34-36-37)28-17-16-27(38-21-26-15-13-23-8-6-7-11-30(23)33-26)19-29(28)32(24-9-4-3-5-10-24)20-22-12-14-25(32)18-22/h3-11,13,15-17,19,22,25H,2,12,14,18,20-21H2,1H3/t22-,25-,32-/s2
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B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 177n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase-activating protein in human polymorphonuclear cells assessed as inhibition of calcium ionophore-induced LTB4 production ...


Bioorg Med Chem Lett 22: 4133-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.064
BindingDB Entry DOI: 10.7270/Q2348MCB
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50383913
PNG
(CHEMBL2031654)
Show SMILES CCn1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1
Show InChI InChI=1/C32H31N5O/c1-2-37-35-31(34-36-37)28-17-16-27(38-21-26-15-13-23-8-6-7-11-30(23)33-26)19-29(28)32(24-9-4-3-5-10-24)20-22-12-14-25(32)18-22/h3-11,13,15-17,19,22,25H,2,12,14,18,20-21H2,1H3/t22-,25-,32-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells


Bioorg Med Chem Lett 22: 4133-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.064
BindingDB Entry DOI: 10.7270/Q2348MCB
More data for this
Ligand-Target Pair