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BDBM37503 MLS000109722::N-(5-bromanylpyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide::N-(5-bromo-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide::N-(5-bromo-2-pyridyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide::N-(5-bromopyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide::SMR000105661::cid_2883391

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]1-[#6](-[#6](=O)-[#7]-c2ccc(Br)cn2)C1([#6])[#6]

InChI Key: InChIKey=AXIVSTHBJFCRNV-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 37503   
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))
BDBM37503
PNG
(MLS000109722 | N-(5-bromanylpyridin-2-yl)-2,2-dime...)
Show SMILES CC(C)=CC1C(C(=O)Nc2ccc(Br)cn2)C1(C)C
Show InChI InChI=1S/C15H19BrN2O/c1-9(2)7-11-13(15(11,3)4)14(19)18-12-6-5-10(16)8-17-12/h5-8,11,13H,1-4H3,(H,17,18,19)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.15E+3n/an/an/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)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair