BindingDB logo
myBDB logout

BDBM50038460 CHEMBL3353726

SMILES: COc1ccc(cc1)-c1sc(nc1O)-c1ccc(Cl)cc1

InChI Key: InChIKey=CUHJHZKKCKDGCX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50038460   
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))
BDBM50038460
PNG
(CHEMBL3353726)
Show SMILES COc1ccc(cc1)-c1sc(nc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNO2S/c1-20-13-8-4-10(5-9-13)14-15(19)18-16(21-14)11-2-6-12(17)7-3-11/h2-9,19H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL S100 extract using arachidonic acid as substrate incubated for 15 mins prior to substrate addition measured after 10...


Eur J Med Chem 89: 503-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.054
BindingDB Entry DOI: 10.7270/Q2959K5T
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50038460
PNG
(CHEMBL3353726)
Show SMILES COc1ccc(cc1)-c1sc(nc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNO2S/c1-20-13-8-4-10(5-9-13)14-15(19)18-16(21-14)11-2-6-12(17)7-3-11/h2-9,19H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human PMNL using arachidonic acid as substrate assessed as product formation incubated for 15 mins prior to substrate addition ...


Eur J Med Chem 89: 503-23 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.054
BindingDB Entry DOI: 10.7270/Q2959K5T
More data for this
Ligand-Target Pair