new BindingDB logo
myBDB logout

BDBM50138735 (S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-carbonyl)isoxazol-5(2H)-one::4-Isopropyl-3-methyl-2-((S)-3-methyl-piperidine-1-carbonyl)-2H-isoxazol-5-one::CHEMBL106126

SMILES: CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1

InChI Key: InChIKey=XWESKOHENXWEAX-JTQLQIEISA-N

Data: 9 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 9 hits for monomerid = 50138735   
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
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit lipoprotein lipase (LPL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone sensitive lipase


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hormone sensitive lipase (HSL)


Bioorg Med Chem Lett 14: 3155-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.015
BindingDB Entry DOI: 10.7270/Q2NV9HQ5
More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit hepatic lipase (HL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Rattus norvegicus (Rat))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay


J Med Chem 51: 6478-94 (2008)


Article DOI: 10.1021/jm800718k
BindingDB Entry DOI: 10.7270/Q23778KJ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1 |r|
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair