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SMILES: Cc1ccc(cc1)C(=O)C[n+]1cc(-c2ccccc2)n2CCCCCc12

InChI Key: InChIKey=VIRLFYAIXYKOCM-UHFFFAOYSA-N

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 = 42429   
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 1


(Homo sapiens (Human))
BDBM42429
PNG
(1-(4-methylphenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-...)
Show SMILES Cc1ccc(cc1)C(=O)C[n+]1cc(-c2ccccc2)n2CCCCCc12
Show InChI InChI=1S/C23H25N2O/c1-18-11-13-20(14-12-18)22(26)17-24-16-21(19-8-4-2-5-9-19)25-15-7-3-6-10-23(24)25/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17H2,1H3/q+1
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PC sid
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PCBioAssay
n/an/a 6.06E+3n/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
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))
BDBM42429
PNG
(1-(4-methylphenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-...)
Show SMILES Cc1ccc(cc1)C(=O)C[n+]1cc(-c2ccccc2)n2CCCCCc12
Show InChI InChI=1S/C23H25N2O/c1-18-11-13-20(14-12-18)22(26)17-24-16-21(19-8-4-2-5-9-19)25-15-7-3-6-10-23(24)25/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17H2,1H3/q+1
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n/an/a 3.12E+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/Q2WH2NF9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42429
PNG
(1-(4-methylphenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-...)
Show SMILES Cc1ccc(cc1)C(=O)C[n+]1cc(-c2ccccc2)n2CCCCCc12
Show InChI InChI=1S/C23H25N2O/c1-18-11-13-20(14-12-18)22(26)17-24-16-21(19-8-4-2-5-9-19)25-15-7-3-6-10-23(24)25/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17H2,1H3/q+1
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PC cid
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PCBioAssay
n/an/a 8.01E+3n/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