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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Pancreatic triacylglycerol lipase' and Ligand = 'BDBM50367142'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pancreatic triacylglycerol lipase


(Homo sapiens (Human))
BDBM50367142
PNG
(CHEMBL4161505)
Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC=O)C=O)[C@@]1(C)CCCC2(C)C |r|
Show InChI InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+/t17?,18-,20+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.45E+4n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic lipase using emulsified olive oil as substrate pretreated with substrate for 5 mins followed by enzyme addition and me...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50367142
PNG
(CHEMBL4161505)
Show SMILES [H][C@@]12CCC(=C)C(C\C=C(/CC=O)C=O)[C@@]1(C)CCCC2(C)C |r|
Show InChI InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+/t17?,18-,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



CSIR - National Institute for Interdisciplinary Science and Technology (CSIR-NIIST)

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition and measured ...


ACS Med Chem Lett 9: 662-666 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00109
BindingDB Entry DOI: 10.7270/Q2F47RPR
More data for this
Ligand-Target Pair