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BDBM94732 (E)-3-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-N-[3-(dimethylamino)propyl]acrylamide::(E)-3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]phenyl]-N-[3-(dimethylamino)propyl]prop-2-enamide::(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[3-(dimethylamino)propyl]-2-propenamide::(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-[3-(dimethylamino)propyl]prop-2-enamide::(E)-3-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-N-[3-(dimethylamino)propyl]-2-propenamide::MLS000721223::SMR000335657::cid_5914949

SMILES: CN(C)CCCNC(=O)\C=C\c1ccc(OCc2c(F)cccc2Cl)cc1

InChI Key: InChIKey=ZZJOTYVKOBLDMI-FMIVXFBMSA-N

Data: 1 EC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 94732   
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
LARGE


(Homo sapiens (Human))
BDBM94732
PNG
((E)-3-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-N-[3...)
Show SMILES CN(C)CCCNC(=O)\C=C\c1ccc(OCc2c(F)cccc2Cl)cc1
Show InChI InChI=1S/C21H24ClFN2O2/c1-25(2)14-4-13-24-21(26)12-9-16-7-10-17(11-8-16)27-15-18-19(22)5-3-6-20(18)23/h3,5-12H,4,13-15H2,1-2H3,(H,24,26)/b12-9+
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.37E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair