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BDBM93975 3-(3-Benzo[1,3]dioxol-5-yl-acryloylamino)-benzoic acid ethyl ester::3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester::3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzoic acid ethyl ester::MLS000569119::SMR000175481::cid_692729::ethyl 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoate

SMILES: CCOC(=O)c1cccc(NC(=O)\C=C\c2ccc3OCOc3c2)c1

InChI Key: InChIKey=MMEARNYBYHDVGN-VQHVLOKHSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 93975   
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
endothelial PAS domain-containing protein 1


(Homo sapiens (Human))
BDBM93975
PNG
(3-(3-Benzo[1,3]dioxol-5-yl-acryloylamino)-benzoic ...)
Show SMILES CCOC(=O)c1cccc(NC(=O)\C=C\c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C19H17NO5/c1-2-23-19(22)14-4-3-5-15(11-14)20-18(21)9-7-13-6-8-16-17(10-13)25-12-24-16/h3-11H,2,12H2,1H3,(H,20,21)/b9-7+
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.67E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2WS8RVZ
More data for this
Ligand-Target Pair