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BDBM37099 1-(8-quinolinylsulfonyl)-N-[4-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxamide::1-(8-quinolylsulfonyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide::1-(quinolin-8-ylsulfonyl)-N-[4-(trifluoromethyl)phenyl]prolinamide::1-quinolin-8-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide::MLS000093309::SMR000028932::cid_3245750

SMILES: FC(F)(F)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1

InChI Key: InChIKey=NYVRMMKNUGHYHK-UHFFFAOYSA-N

Data: 3 EC50

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 = 37099   
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 1


(Homo sapiens (Human))
BDBM37099
PNG
(1-(8-quinolinylsulfonyl)-N-[4-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C21H18F3N3O3S/c22-21(23,24)15-8-10-16(11-9-15)26-20(28)17-6-3-13-27(17)31(29,30)18-7-1-4-14-5-2-12-25-19(14)18/h1-2,4-5,7-12,17H,3,6,13H2,(H,26,28)
PDB

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B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 1.02E+4n/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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37099
PNG
(1-(8-quinolinylsulfonyl)-N-[4-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C21H18F3N3O3S/c22-21(23,24)15-8-10-16(11-9-15)26-20(28)17-6-3-13-27(17)31(29,30)18-7-1-4-14-5-2-12-25-19(14)18/h1-2,4-5,7-12,17H,3,6,13H2,(H,26,28)
PDB

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Article
PCBioAssay
n/an/an/an/a 9.86E+3n/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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37099
PNG
(1-(8-quinolinylsulfonyl)-N-[4-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C21H18F3N3O3S/c22-21(23,24)15-8-10-16(11-9-15)26-20(28)17-6-3-13-27(17)31(29,30)18-7-1-4-14-5-2-12-25-19(14)18/h1-2,4-5,7-12,17H,3,6,13H2,(H,26,28)
PDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/an/an/a>3.00E+4n/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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair