BindingDB logo
myBDB logout

BDBM50232349 CHEMBL4102155

SMILES: [H][C@]12[#6]-[#6](=[#6][C@@]1([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#8]2)-[#6](-[#8]-[#6])-[#8]-[#6]

InChI Key: InChIKey=GACCQQMPKZGHGJ-SMDDNHRTSA-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 = 50232349   
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
Pancreatic triacylglycerol lipase


(Homo sapiens (Human))		BDBM50232349
PNG
(CHEMBL4102155)
Show SMILES [H][C@]12[#6]-[#6](=[#6][C@@]1([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#8]2)-[#6](-[#8]-[#6])-[#8]-[#6] |r,c:3|
Show InChI InChI=1S/C14H20O4/c1-9(2)5-6-14-8-10(12(16-3)17-4)7-11(14)18-13(14)15/h5,8,11-12H,6-7H2,1-4H3/t11-,14+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic lipase using 4-methylumbelliferyl oleate as substrate after 30 mins by fluorometric method

J Nat Prod 79: 3148-3151 (2016)


BindingDB Entry DOI: 10.7270/Q24B33JV
More data for this
Ligand-Target Pair