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BDBM31350 1-(4-nitrophenyl)-N-(p-tolyl)cyclopentanecarboxamide::MLS000579544::N-(4-methylphenyl)-1-(4-nitrophenyl)-1-cyclopentanecarboxamide::N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide::N-(4-methylphenyl)-1-(4-nitrophenyl)cyclopentanecarboxamide::SMR000198980::cid_969623

SMILES: Cc1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)[N+]([O-])=O)cc1

InChI Key: InChIKey=OFQYLXJMJJGXHQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 31350   
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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31350
PNG
(1-(4-nitrophenyl)-N-(p-tolyl)cyclopentanecarboxami...)
Show SMILES Cc1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H20N2O3/c1-14-4-8-16(9-5-14)20-18(22)19(12-2-3-13-19)15-6-10-17(11-7-15)21(23)24/h4-11H,2-3,12-13H2,1H3,(H,20,22)
NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/a 6.92E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q228061X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31350
PNG
(1-(4-nitrophenyl)-N-(p-tolyl)cyclopentanecarboxami...)
Show SMILES Cc1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H20N2O3/c1-14-4-8-16(9-5-14)20-18(22)19(12-2-3-13-19)15-6-10-17(11-7-15)21(23)24/h4-11H,2-3,12-13H2,1H3,(H,20,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 9.48E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FQ9TZS
More data for this
Ligand-Target Pair