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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50156313'   
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 1


(Homo sapiens (Human))
BDBM50156313
PNG
(4-[3-(3-{2-[1-(2-Methoxy-phenyl)-piperidin-4-ylami...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC)c1 |c:13,t:10|
Show InChI InChI=1S/C32H41N5O6/c1-20-27(30(38)42-4)29(28(21(2)35-20)31(39)43-5)22-9-8-10-24(19-22)36-32(40)34-16-15-33-23-13-17-37(18-14-23)25-11-6-7-12-26(25)41-3/h6-12,19,23,27,29,33H,13-18H2,1-5H3,(H2,34,36,40)
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PC cid
PC sid
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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity towards Neuropeptide Y receptor type 1


Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50156313
PNG
(4-[3-(3-{2-[1-(2-Methoxy-phenyl)-piperidin-4-ylami...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC)c1 |c:13,t:10|
Show InChI InChI=1S/C32H41N5O6/c1-20-27(30(38)42-4)29(28(21(2)35-20)31(39)43-5)22-9-8-10-24(19-22)36-32(40)34-16-15-33-23-13-17-37(18-14-23)25-11-6-7-12-26(25)41-3/h6-12,19,23,27,29,33H,13-18H2,1-5H3,(H2,34,36,40)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY to membranes of SK-N-MC cells expressing the human Y1 receptors


Bioorg Med Chem Lett 14: 5975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.005
BindingDB Entry DOI: 10.7270/Q2765DTG
More data for this
Ligand-Target Pair