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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.5
BDBM75892

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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM75892
PNG
(4-(4-methoxyphenoxy)-2-p-cumenyl-5-piperidino-pyri...)
Show SMILES COc1ccc(Oc2c(cnn(-c3ccc(cc3)C(C)C)c2=O)N2CCCCC2)cc1
Show InChI InChI=1S/C25H29N3O3/c1-18(2)19-7-9-20(10-8-19)28-25(29)24(31-22-13-11-21(30-3)12-14-22)23(17-26-28)27-15-5-4-6-16-27/h7-14,17-18H,4-6,15-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))
BDBM75892
PNG
(4-(4-methoxyphenoxy)-2-p-cumenyl-5-piperidino-pyri...)
Show SMILES COc1ccc(Oc2c(cnn(-c3ccc(cc3)C(C)C)c2=O)N2CCCCC2)cc1
Show InChI InChI=1S/C25H29N3O3/c1-18(2)19-7-9-20(10-8-19)28-25(29)24(31-22-13-11-21(30-3)12-14-22)23(17-26-28)27-15-5-4-6-16-27/h7-14,17-18H,4-6,15-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair