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SMILES: CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1

InChI Key: InChIKey=KJNNWYBAOPXVJY-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50249580   
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
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50249580
PNG
(Azeliragon | PF-04494700 | TTP448 | US11524942, Co...)
Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
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Article
PubMed
n/an/an/a 500n/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of amyloid beta (1 to 42) binding to RAGE domain V (unknown origin) by fluorescence polarization assay


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))
BDBM50249580
PNG
(Azeliragon | PF-04494700 | TTP448 | US11524942, Co...)
Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
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US Patent
n/an/an/a 12.7n/an/an/an/an/a


TBA

Assay Description
The binding affinity of COMPOUND I and compounds of the invention to human sRAGE (the soluble extracellular domain of the human receptor for advanced...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28W3J4M
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50249580
PNG
(Azeliragon | PF-04494700 | TTP448 | US11524942, Co...)
Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
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n/an/a<1.00E+3n/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))
BDBM50249580
PNG
(Azeliragon | PF-04494700 | TTP448 | US11524942, Co...)
Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
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n/an/a 1.35E+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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50249580
PNG
(Azeliragon | PF-04494700 | TTP448 | US11524942, Co...)
Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
PDB

KEGG

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antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/a>3.00E+3n/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))
BDBM50249580
PNG
(Azeliragon | PF-04494700 | TTP448 | US11524942, Co...)
Show SMILES CCCCc1nc(cn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3
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PC cid
PC sid
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Article
PubMed
n/an/an/a 13n/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