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BDBM50043669 6-[3-Fluoro-5-((S)-1-methoxy-1-thiazol-2-yl-propyl)-phenoxymethyl]-1-methyl-1H-quinolin-2-one::CHEMBL442334

SMILES: CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1

InChI Key: InChIKey=LKADLMFAUZHGIW-DEOSSOPVSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50043669   
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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50043669
PNG
(6-[3-Fluoro-5-((S)-1-methoxy-1-thiazol-2-yl-propyl...)
Show SMILES CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C24H23FN2O3S/c1-4-24(29-3,23-26-9-10-31-23)18-12-19(25)14-20(13-18)30-15-16-5-7-21-17(11-16)6-8-22(28)27(21)2/h5-14H,4,15H2,1-3H3/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-lipoxygenase from human whole blood


J Med Chem 37: 113-24 (1994)


Article DOI: 10.1021/jm00027a014
BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM50043669
PNG
(6-[3-Fluoro-5-((S)-1-methoxy-1-thiazol-2-yl-propyl...)
Show SMILES CC[C@@](OC)(c1nccs1)c1cc(F)cc(OCc2ccc3n(C)c(=O)ccc3c2)c1
Show InChI InChI=1S/C24H23FN2O3S/c1-4-24(29-3,23-26-9-10-31-23)18-12-19(25)14-20(13-18)30-15-16-5-7-21-17(11-16)6-8-22(28)27(21)2/h5-14H,4,15H2,1-3H3/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from mouse macrophage


J Med Chem 37: 113-24 (1994)


Article DOI: 10.1021/jm00027a014
BindingDB Entry DOI: 10.7270/Q2JW8CZP
More data for this
Ligand-Target Pair