BindingDB logo
myBDB logout

BDBM45364 MLS000047378::N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide::N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide::N-(4-phenoxyphenyl)-2-[4-(2-pyridinyl)-1-piperazinyl]acetamide::N-(4-phenoxyphenyl)-2-[4-(2-pyridyl)piperazino]acetamide::SMR000033389::cid_3237037

SMILES: O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=IREYBTTUTCTPMN-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 45364   
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
Factor XIIa


(Homo sapiens (Human))
BDBM45364
PNG
(MLS000047378 | N-(4-phenoxyphenyl)-2-(4-pyridin-2-...)
Show SMILES O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H24N4O2/c28-23(18-26-14-16-27(17-15-26)22-8-4-5-13-24-22)25-19-9-11-21(12-10-19)29-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM45364
PNG
(MLS000047378 | N-(4-phenoxyphenyl)-2-(4-pyridin-2-...)
Show SMILES O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H24N4O2/c28-23(18-26-14-16-27(17-15-26)22-8-4-5-13-24-22)25-19-9-11-21(12-10-19)29-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,25,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.61E+4n/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 (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM45364
PNG
(MLS000047378 | N-(4-phenoxyphenyl)-2-(4-pyridin-2-...)
Show SMILES O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H24N4O2/c28-23(18-26-14-16-27(17-15-26)22-8-4-5-13-24-22)25-19-9-11-21(12-10-19)29-20-6-2-1-3-7-20/h1-13H,14-18H2,(H,25,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.25E+4n/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) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2833QNG
More data for this
Ligand-Target Pair