BindingDB logo
myBDB logout

BDBM42355 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-benzylpiperidin-4-yl)propanamide::3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[1-(phenylmethyl)-4-piperidinyl]propanamide::3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[1-(phenylmethyl)piperidin-4-yl]propanamide::MLS000044398::N-(1-benzyl-4-piperidyl)-3-(piazthiol-4-ylsulfonylamino)propionamide::N~3~-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~1~-(1-benzylpiperidin-4-yl)-beta-alaninamide::SMR000022175::cid_3242583

SMILES: O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=IJLHTKMSXQEBQG-UHFFFAOYSA-N

Data: 1 EC50

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 = 42355   
Target
(Institution)
LigandTarget
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
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM42355
PNG
(3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-b...)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25N5O3S2/c27-20(23-17-10-13-26(14-11-17)15-16-5-2-1-3-6-16)9-12-22-31(28,29)19-8-4-7-18-21(19)25-30-24-18/h1-8,17,22H,9-15H2,(H,23,27)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


Citation and Details
More data for this
Ligand-Target Pair