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SMILES: CCCN(CCC)c1ccc(C=O)cc1Cl

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50585953   
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, dimeric NADP-preferring


(Homo sapiens (Human))
BDBM50585953
PNG
(CHEMBL5087589)
Show SMILES CCCN(CCC)c1ccc(C=O)cc1Cl
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.37E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal-His6 tagged recombinant human ALDH3A1 assessed as reduction in NADPH production using 4-NBA and NADP+ as substrate by fluori...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01367
BindingDB Entry DOI: 10.7270/Q22Z19FT
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3


(Homo sapiens (Human))
BDBM50585953
PNG
(CHEMBL5087589)
Show SMILES CCCN(CCC)c1ccc(C=O)cc1Cl
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal-His6 tagged recombinant human ALDH1A3 assessed as reduction in NADH production using hexanal and NAD+ as substrate by fluori...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01367
BindingDB Entry DOI: 10.7270/Q22Z19FT
More data for this
Ligand-Target Pair