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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 535.6
BDBM50437007

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50437007
PNG
(CHEMBL2403029)
Show SMILES CCNC(=O)C(C1CCN(CC1)c1ccc(cc1F)C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H34FN3O2/c1-2-36-34(40)32(25-13-7-4-8-14-25)26-19-21-38(22-20-26)31-18-17-27(23-29(31)35)33(39)37-30-16-10-9-15-28(30)24-11-5-3-6-12-24/h3-18,23,26,32H,2,19-22H2,1H3,(H,36,40)(H,37,39)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of MTP (unknown origin)-mediated triglyceride transfer from donor to acceptor vesicles preincubated for 5 mins followed by enzyme addition...


Bioorg Med Chem Lett 23: 4141-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.038
BindingDB Entry DOI: 10.7270/Q29C6ZV8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50437007
PNG
(CHEMBL2403029)
Show SMILES CCNC(=O)C(C1CCN(CC1)c1ccc(cc1F)C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H34FN3O2/c1-2-36-34(40)32(25-13-7-4-8-14-25)26-19-21-38(22-20-26)31-18-17-27(23-29(31)35)33(39)37-30-16-10-9-15-28(30)24-11-5-3-6-12-24/h3-18,23,26,32H,2,19-22H2,1H3,(H,36,40)(H,37,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]PYY from NPY-Y2 receptor in human KAN-TS cell membranes after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 4141-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.038
BindingDB Entry DOI: 10.7270/Q29C6ZV8
More data for this
Ligand-Target Pair