BindingDB logo
myBDB logout

BDBM42407 1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-(4-methoxy-phenyl)-piperazine::1-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine;hydrochloride::1-[(1-cyclopentyl-5-tetrazolyl)-(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine;hydrochloride::1-[(1-cyclopentyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine;hydrochloride::MLS000072668::SMR000004862::cid_6603437

SMILES: COc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1cccc(OC)c1OC

InChI Key: InChIKey=WENHBUMRGCQHJF-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 42407   
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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42407
PNG
(1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,3-dimethoxy...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1cccc(OC)c1OC
Show InChI InChI=1S/C26H34N6O3/c1-33-21-13-11-19(12-14-21)30-15-17-31(18-16-30)24(22-9-6-10-23(34-2)25(22)35-3)26-27-28-29-32(26)20-7-4-5-8-20/h6,9-14,20,24H,4-5,7-8,15-18H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42407
PNG
(1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,3-dimethoxy...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1cccc(OC)c1OC
Show InChI InChI=1S/C26H34N6O3/c1-33-21-13-11-19(12-14-21)30-15-17-31(18-16-30)24(22-9-6-10-23(34-2)25(22)35-3)26-27-28-29-32(26)20-7-4-5-8-20/h6,9-14,20,24H,4-5,7-8,15-18H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair