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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Advanced glycosylation end product-specific receptor' and Ligand = 'BDBM50249578'   
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))
BDBM50249578
PNG
(CHEMBL4095634)
Show SMILES CCCCOc1cc(ccc1NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)OCCN(CC)CC |r|
Show InChI InChI=1S/C30H39N3O4/c1-4-7-17-36-28-21-25(30(35)37-18-16-33(5-2)6-3)14-15-27(28)32-29(34)26(31)20-22-12-13-23-10-8-9-11-24(23)19-22/h8-15,19,21,26H,4-7,16-18,20,31H2,1-3H3,(H,32,34)/t26-/m1/s1
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Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of S110B binding to RAGE (unknown origin) 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))
BDBM50249578
PNG
(CHEMBL4095634)
Show SMILES CCCCOc1cc(ccc1NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)OCCN(CC)CC |r|
Show InChI InChI=1S/C30H39N3O4/c1-4-7-17-36-28-21-25(30(35)37-18-16-33(5-2)6-3)14-15-27(28)32-29(34)26(31)20-22-12-13-23-10-8-9-11-24(23)19-22/h8-15,19,21,26H,4-7,16-18,20,31H2,1-3H3,(H,32,34)/t26-/m1/s1
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PubMed
n/an/a 2.29E+3n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of CML binding to RAGE (unknown origin) 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))
BDBM50249578
PNG
(CHEMBL4095634)
Show SMILES CCCCOc1cc(ccc1NC(=O)[C@H](N)Cc1ccc2ccccc2c1)C(=O)OCCN(CC)CC |r|
Show InChI InChI=1S/C30H39N3O4/c1-4-7-17-36-28-21-25(30(35)37-18-16-33(5-2)6-3)14-15-27(28)32-29(34)26(31)20-22-12-13-23-10-8-9-11-24(23)19-22/h8-15,19,21,26H,4-7,16-18,20,31H2,1-3H3,(H,32,34)/t26-/m1/s1
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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta binding to RAGE (unknown origin) 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