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BDBM32290 6-(2-ethoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione::6-(2-ethoxyphenyl)benzo[d][2]benzazepine-5,7-dione::6-o-phenetylbenzo[d][2]benzazepine-5,7-quinone::MLS000578384::SMR000198285::cid_755997

SMILES: CCOc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O

InChI Key: InChIKey=BESUZBGLKOOKTO-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32290   
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
Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)


(Homo sapiens (Human))
BDBM32290
PNG
(6-(2-ethoxyphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-...)
Show SMILES CCOc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(13.76,-.07,;12.9,1.21,;11.36,1.09,;10.49,2.36,;11.16,3.75,;10.29,5.02,;8.76,4.91,;8.09,3.52,;8.96,2.25,;8.29,.86,;9.25,-.34,;10.75,-0,;8.91,-1.84,;10.25,-2.73,;10.14,-4.33,;8.69,-5.02,;7.38,-4.11,;7.52,-2.51,;6.13,-1.84,;4.97,-2.95,;3.44,-2.49,;3.08,-.93,;4.26,.15,;5.79,-.34,;6.75,.86,;6.08,2.25,)|
Show InChI InChI=1S/C22H17NO3/c1-2-26-20-14-8-7-13-19(20)23-21(24)17-11-5-3-9-15(17)16-10-4-6-12-18(16)22(23)25/h3-14H,2H2,1H3
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MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.65E+4n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair