BindingDB logo
myBDB logout

BDBM50446677 CHEMBL3113621

SMILES: Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N2CCC[C@@H]2C(O)=O)c2ccccc12

InChI Key: InChIKey=MWESSEWMZVMMIU-LJQANCHMSA-N

Data: 1 KI  1 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 = 50446677   
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))
BDBM50446677
PNG
(CHEMBL3113621)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N2CCC[C@@H]2C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H20N2O6S/c1-14-8-10-15(11-9-14)31(29,30)24-13-17(16-5-2-3-6-18(16)24)20(25)21(26)23-12-4-7-19(23)22(27)28/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H,27,28)/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
510n/an/an/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry


Bioorg Med Chem 22: 1642-8 (2014)


Article DOI: 10.1016/j.bmc.2014.01.027
BindingDB Entry DOI: 10.7270/Q2KH0PT3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50446677
PNG
(CHEMBL3113621)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N2CCC[C@@H]2C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H20N2O6S/c1-14-8-10-15(11-9-14)31(29,30)24-13-17(16-5-2-3-6-18(16)24)20(25)21(26)23-12-4-7-19(23)22(27)28/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H,27,28)/t19-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA


Bioorg Med Chem 22: 1642-8 (2014)


Article DOI: 10.1016/j.bmc.2014.01.027
BindingDB Entry DOI: 10.7270/Q2KH0PT3
More data for this
Ligand-Target Pair