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3 similar compounds to monomer 31353

Compile data set for download or QSAR
Wt: 324.3
BDBM31350
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Wt: 279.3
BDBM31351
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Wt: 329.4
BDBM31352
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 31350,31351,31352   
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))
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)
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PC cid
PC sid
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PCBioAssay
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
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)
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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))
BDBM31352
PNG
(2-Cyclopentyl-N-naphthalen-2-yl-2-phenyl-acetamide...)
Show SMILES O=C(Nc1ccc2ccccc2c1)C(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C23H23NO/c25-23(24-21-15-14-17-8-4-7-13-20(17)16-21)22(19-11-5-6-12-19)18-9-2-1-3-10-18/h1-4,7-10,13-16,19,22H,5-6,11-12H2,(H,24,25)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.10E+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))
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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UniProtKB/SwissProt

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PC cid
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PCBioAssay
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
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
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UniProtKB/SwissProt

GoogleScholar
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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))
BDBM31352
PNG
(2-Cyclopentyl-N-naphthalen-2-yl-2-phenyl-acetamide...)
Show SMILES O=C(Nc1ccc2ccccc2c1)C(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C23H23NO/c25-23(24-21-15-14-17-8-4-7-13-20(17)16-21)22(19-11-5-6-12-19)18-9-2-1-3-10-18/h1-4,7-10,13-16,19,22H,5-6,11-12H2,(H,24,25)
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GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.85E+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