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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 536.6
BDBM50437014

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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50437014
PNG
(CHEMBL2402906)
Show SMILES CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1
Show InChI InChI=1S/C33H33FN4O2/c1-2-36-33(40)31(23-9-4-3-5-10-23)24-16-19-38(20-17-24)30-15-14-26(21-29(30)34)37-32(39)28-13-7-6-12-27(28)25-11-8-18-35-22-25/h3-15,18,21-22,24,31H,2,16-17,19-20H2,1H3,(H,36,40)(H,37,39)
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PC sid
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Similars

Article
PubMed
n/an/a 24n/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
Microsomal triglyceride transfer protein large subunit


(Homo sapiens (Human))
BDBM50437014
PNG
(CHEMBL2402906)
Show SMILES CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2ccccc2-c2cccnc2)cc1F)c1ccccc1
Show InChI InChI=1S/C33H33FN4O2/c1-2-36-33(40)31(23-9-4-3-5-10-23)24-16-19-38(20-17-24)30-15-14-26(21-29(30)34)37-32(39)28-13-7-6-12-27(28)25-11-8-18-35-22-25/h3-15,18,21-22,24,31H,2,16-17,19-20H2,1H3,(H,36,40)(H,37,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/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