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BDBM62151 2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]ethanamide::2-(4-chloro-3-methyl-phenoxy)-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]acetamide::2-(4-chloro-3-methylphenoxy)-N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]acetamide::2-(4-chloro-3-methylphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide::MLS001116287::SMR000625683::cid_16438224

SMILES: COc1ccc(cc1)C(CNC(=O)COc1ccc(Cl)c(C)c1)N1CCCCC1

InChI Key: InChIKey=CRAOTSUSWDADJO-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 62151   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM62151
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)C(CNC(=O)COc1ccc(Cl)c(C)c1)N1CCCCC1
Show InChI InChI=1S/C23H29ClN2O3/c1-17-14-20(10-11-21(17)24)29-16-23(27)25-15-22(26-12-4-3-5-13-26)18-6-8-19(28-2)9-7-18/h6-11,14,22H,3-5,12-13,15-16H2,1-2H3,(H,25,27)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.87E+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/Q2WH2NF9
More data for this
Ligand-Target Pair