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BDBM67286 1-(3,4-dichlorophenyl)-2-(3-methyl-1-piperidinyl)ethanone::1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone::1-(3,4-dichlorophenyl)-2-(3-methylpiperidino)ethanone::MLS001033014::SMR000363518::cid_5218417

SMILES: CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1

InChI Key: InChIKey=APIRRWANGJCETR-UHFFFAOYSA-N

Data: 2 IC50  1 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 = 67286   
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
Apelin receptor


(Homo sapiens (Human))
BDBM67286
PNG
(1-(3,4-dichlorophenyl)-2-(3-methyl-1-piperidinyl)e...)
Show SMILES CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C14H17Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.79E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM67286
PNG
(1-(3,4-dichlorophenyl)-2-(3-methyl-1-piperidinyl)e...)
Show SMILES CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C14H17Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.08E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SN07DK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67286
PNG
(1-(3,4-dichlorophenyl)-2-(3-methyl-1-piperidinyl)e...)
Show SMILES CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C14H17Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.76E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair