BindingDB logo
myBDB logout

BDBM326933 US9662339, 184::[(3R)-1-{4-[(2S)-2,3-dihydro-1,4- benzodioxin-2- yl]benzyl}pyrrolidin-3-yl]acetic acid

SMILES: OC(=O)C[C@H]1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)C1

InChI Key: InChIKey=QPESCZURDNRROF-OXQOHEQNSA-N

Data: 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 1 hit for monomerid = 326933   
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
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM326933
PNG
(US9662339, 184 | [(3R)-1-{4-[(2S)-2,3-dihydro-1,4-...)
Show SMILES OC(=O)C[C@H]1CCN(Cc2ccc(cc2)[C@H]2COc3ccccc3O2)C1
Show InChI InChI=1S/C21H23NO4/c23-21(24)11-16-9-10-22(13-16)12-15-5-7-17(8-6-15)20-14-25-18-3-1-2-4-19(18)26-20/h1-8,16,20H,9-14H2,(H,23,24)/t16-,20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.110n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...


US Patent US9662339 (2017)

More data for this
Ligand-Target Pair