BindingDB logo
myBDB logout

BDBM50085272 5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-thiazole::CHEMBL163630

SMILES: C(CN1CCCC1)Oc1ncc(Cc2ccccc2)s1

InChI Key: InChIKey=AXDKPZDBKBTIER-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 = 50085272   
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))
BDBM50085272
PNG
(5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-thiazole | C...)
Show SMILES C(CN1CCCC1)Oc1ncc(Cc2ccccc2)s1
Show InChI InChI=1S/C16H20N2OS/c1-2-6-14(7-3-1)12-15-13-17-16(20-15)19-11-10-18-8-4-5-9-18/h1-3,6-7,13H,4-5,8-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against Leukotriene A4 hydrolase


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50085272
PNG
(5-Benzyl-2-(2-pyrrolidin-1-yl-ethoxy)-thiazole | C...)
Show SMILES C(CN1CCCC1)Oc1ncc(Cc2ccccc2)s1
Show InChI InChI=1S/C16H20N2OS/c1-2-6-14(7-3-1)12-15-13-17-16(20-15)19-11-10-18-8-4-5-9-18/h1-3,6-7,13H,4-5,8-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity was determined for LTB4 production in human whole blood.


J Med Chem 43: 721-35 (2000)


BindingDB Entry DOI: 10.7270/Q2CN74MZ
More data for this
Ligand-Target Pair