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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.6
BDBM50437010

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

Found 3 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))
BDBM50437010
PNG
(CHEMBL2403024)
Show SMILES CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2c(C)noc2C)cc1F)c1ccccc1
Show InChI InChI=1S/C29H35FN4O3/c1-5-33(6-2)29(36)27(21-10-8-7-9-11-21)22-14-16-34(17-15-22)25-13-12-23(18-24(25)30)31-28(35)26-19(3)32-37-20(26)4/h7-13,18,22,27H,5-6,14-17H2,1-4H3,(H,31,35)
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Article
PubMed
n/an/a 37n/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))
BDBM50437010
PNG
(CHEMBL2403024)
Show SMILES CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2c(C)noc2C)cc1F)c1ccccc1
Show InChI InChI=1S/C29H35FN4O3/c1-5-33(6-2)29(36)27(21-10-8-7-9-11-21)22-14-16-34(17-15-22)25-13-12-23(18-24(25)30)31-28(35)26-19(3)32-37-20(26)4/h7-13,18,22,27H,5-6,14-17H2,1-4H3,(H,31,35)
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PubMed
n/an/a>1.00E+4n/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))
BDBM50437010
PNG
(CHEMBL2403024)
Show SMILES CCN(CC)C(=O)C(C1CCN(CC1)c1ccc(NC(=O)c2c(C)noc2C)cc1F)c1ccccc1
Show InChI InChI=1S/C29H35FN4O3/c1-5-33(6-2)29(36)27(21-10-8-7-9-11-21)22-14-16-34(17-15-22)25-13-12-23(18-24(25)30)31-28(35)26-19(3)32-37-20(26)4/h7-13,18,22,27H,5-6,14-17H2,1-4H3,(H,31,35)
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Article
PubMed
n/an/an/a 32n/an/an/an/an/a



Janssen Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at NPY-Y2 receptor in human KAN-TS cell membranes assessed as inhibition of PYY-stimulated [35S]GTPgammaS binding preincubated fo...


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