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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Advanced glycosylation end product-specific receptor' and Ligand = 'BDBM50397836'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50397836
PNG
(CHEMBL2179073)
Show SMILES CCN(CC)CCOc1cccc(Nc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C28H28Cl2N4O/c1-3-34(4-2)16-17-35-25-7-5-6-24(18-25)31-28-32-26(20-8-12-22(29)13-9-20)19-27(33-28)21-10-14-23(30)15-11-21/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,31,32,33)
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Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114347
BindingDB Entry DOI: 10.7270/Q2PG1WTJ
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50397836
PNG
(CHEMBL2179073)
Show SMILES CCN(CC)CCOc1cccc(Nc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C28H28Cl2N4O/c1-3-34(4-2)16-17-35-25-7-5-6-24(18-25)31-28-32-26(20-8-12-22(29)13-9-20)19-27(33-28)21-10-14-23(30)15-11-21/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,31,32,33)
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Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant biotinylated receptor for advanced glycation end product expressed in Escherichia coli DE3 assessed as inhibition of ...


J Med Chem 55: 9120-35 (2012)


Article DOI: 10.1021/jm300172z
BindingDB Entry DOI: 10.7270/Q289170G
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50397836
PNG
(CHEMBL2179073)
Show SMILES CCN(CC)CCOc1cccc(Nc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C28H28Cl2N4O/c1-3-34(4-2)16-17-35-25-7-5-6-24(18-25)31-28-32-26(20-8-12-22(29)13-9-20)19-27(33-28)21-10-14-23(30)15-11-21/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,31,32,33)
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Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta binding to biotin-labeled human RAGE domain V after 60 mins by ELISA


J Med Chem 60: 7213-7232 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00058
BindingDB Entry DOI: 10.7270/Q2KD21BP
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50397836
PNG
(CHEMBL2179073)
Show SMILES CCN(CC)CCOc1cccc(Nc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C28H28Cl2N4O/c1-3-34(4-2)16-17-35-25-7-5-6-24(18-25)31-28-32-26(20-8-12-22(29)13-9-20)19-27(33-28)21-10-14-23(30)15-11-21/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,31,32,33)
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 1.02E+5n/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant bitinylated receptor for advanced glycation end product expressed in Escherichia coli DE3 after 1 min by surfac...


J Med Chem 55: 9120-35 (2012)


Article DOI: 10.1021/jm300172z
BindingDB Entry DOI: 10.7270/Q289170G
More data for this
Ligand-Target Pair