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BDBM223453 US9320722, 17

SMILES: CS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+](O)=O

InChI Key: InChIKey=DJGIFVJQWXDJKM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 223453   
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
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM223453
PNG
(US9320722, 17)
Show SMILES CS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+](O)=O
Show InChI InChI=1S/C16H17N2O4S/c1-23(21,22)14-7-8-15(16(10-14)18(19)20)17-13-6-5-11-3-2-4-12(11)9-13/h5-10,17H,2-4H2,1H3,(H,19,20)/q+1
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.69E+4n/an/an/an/a7.5n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...


US Patent US9320722 (2016)


BindingDB Entry DOI: 10.7270/Q2V69HGB
More data for this
Ligand-Target Pair