BindingDB logo
myBDB logout

2 similar compounds to monomer 31352

Compile data set for download or QSAR
Wt: 279.3
BDBM31351
Purchase
Wt: 293.4
BDBM31353
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 31351,31353   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31351
PNG
(2-Cyclopentyl-2,N-diphenyl-acetamide | 2-cyclopent...)
Show SMILES O=C(Nc1ccccc1)C(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C19H21NO/c21-19(20-17-13-5-2-6-14-17)18(16-11-7-8-12-16)15-9-3-1-4-10-15/h1-6,9-10,13-14,16,18H,7-8,11-12H2,(H,20,21)
Reactome pathway
KEGG

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.21E+4n/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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31353
PNG
(2-Cyclopentyl-2-phenyl-N-p-tolyl-acetamide | 2-cyc...)
Show SMILES Cc1ccc(NC(=O)C(C2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H23NO/c1-15-11-13-18(14-12-15)21-20(22)19(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,11-14,17,19H,5-6,9-10H2,1H3,(H,21,22)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.43E+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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31351
PNG
(2-Cyclopentyl-2,N-diphenyl-acetamide | 2-cyclopent...)
Show SMILES O=C(Nc1ccccc1)C(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C19H21NO/c21-19(20-17-13-5-2-6-14-17)18(16-11-7-8-12-16)15-9-3-1-4-10-15/h1-6,9-10,13-14,16,18H,7-8,11-12H2,(H,20,21)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.60E+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 (Human))
BDBM31353
PNG
(2-Cyclopentyl-2-phenyl-N-p-tolyl-acetamide | 2-cyc...)
Show SMILES Cc1ccc(NC(=O)C(C2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C20H23NO/c1-15-11-13-18(14-12-15)21-20(22)19(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,11-14,17,19H,5-6,9-10H2,1H3,(H,21,22)
Reactome pathway
KEGG

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.06E+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