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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Advanced glycosylation end product-specific receptor' and Ligand = 'BDBM50249571'   
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))
BDBM50249571
PNG
(CHEMBL4101927 | US10729695, Compound CB-6)
Show SMILES COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nccs1
Show InChI InChI=1S/C13H12ClN3O3S/c1-7(18)16-10-6-11(20-2)8(5-9(10)14)12(19)17-13-15-3-4-21-13/h3-6H,1-2H3,(H,16,18)(H,15,17,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.100n/an/an/an/an/a



The Research Foundation for the State University of New York; New York University

US Patent


Assay Description
Day 1Step 1. Add 50 μl anti-mDial (1:160 dilution in 0.1M NaHCO3 pH 9.6)/well. Incubate overnight at 4° C.Day 2Step 2. Use the plate washer to a...


US Patent US10729695 (2020)


BindingDB Entry DOI: 10.7270/Q20868CW
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50249571
PNG
(CHEMBL4101927 | US10729695, Compound CB-6)
Show SMILES COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nccs1
Show InChI InChI=1S/C13H12ClN3O3S/c1-7(18)16-10-6-11(20-2)8(5-9(10)14)12(19)17-13-15-3-4-21-13/h3-6H,1-2H3,(H,16,18)(H,15,17,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.300n/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