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BDBM36962 4-amino-N-[2-[[5-bromo-2-(2-fluorobenzyl)oxy-benzyl]amino]ethyl]furazan-3-carboxamide;hydrochloride::4-amino-N-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride::4-azanyl-N-[2-[[5-bromanyl-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride::MLS000083800::SMR000048667::cid_6603347

SMILES: Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccccc1F

InChI Key: InChIKey=VJTIFSGFGLTUDR-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 = 36962   
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))
BDBM36962
PNG
(4-amino-N-[2-[[5-bromo-2-(2-fluorobenzyl)oxy-benzy...)
Show SMILES Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccccc1F
Show InChI InChI=1S/C19H19BrFN5O3/c20-14-5-6-16(28-11-12-3-1-2-4-15(12)21)13(9-14)10-23-7-8-24-19(27)17-18(22)26-29-25-17/h1-6,9,23H,7-8,10-11H2,(H2,22,26)(H,24,27)
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PCBioAssay
n/an/an/an/a 8.91E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36962
PNG
(4-amino-N-[2-[[5-bromo-2-(2-fluorobenzyl)oxy-benzy...)
Show SMILES Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccccc1F
Show InChI InChI=1S/C19H19BrFN5O3/c20-14-5-6-16(28-11-12-3-1-2-4-15(12)21)13(9-14)10-23-7-8-24-19(27)17-18(22)26-29-25-17/h1-6,9,23H,7-8,10-11H2,(H2,22,26)(H,24,27)
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PCBioAssay
n/an/an/an/a 8.07E+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))
BDBM36962
PNG
(4-amino-N-[2-[[5-bromo-2-(2-fluorobenzyl)oxy-benzy...)
Show SMILES Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccccc1F
Show InChI InChI=1S/C19H19BrFN5O3/c20-14-5-6-16(28-11-12-3-1-2-4-15(12)21)13(9-14)10-23-7-8-24-19(27)17-18(22)26-29-25-17/h1-6,9,23H,7-8,10-11H2,(H2,22,26)(H,24,27)
PDB

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PCBioAssay
n/an/an/an/a 2.89E+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