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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 = 'BDBM50249567'   
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))
BDBM50249567
PNG
(CHEMBL4075936)
Show SMILES Clc1ccc(cc1)C(=O)N(Cc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
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25n/an/an/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))
BDBM50249567
PNG
(CHEMBL4075936)
Show SMILES Clc1ccc(cc1)C(=O)N(Cc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
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25n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Displacement of [I125]amyloid beta (1 to 40) from human RAGE domain V expressed in CHO cells


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))
BDBM50249567
PNG
(CHEMBL4075936)
Show SMILES Clc1ccc(cc1)C(=O)N(Cc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
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148n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of HMGB1 binding to human RAGE domain V expressed in CHO cells


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))
BDBM50249567
PNG
(CHEMBL4075936)
Show SMILES Clc1ccc(cc1)C(=O)N(Cc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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Article
PubMed
230n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of S110B binding to human RAGE domain V expressed in CHO cells


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