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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50040943   
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))
BDBM50402568
PNG
(CHEMBL2205566)
Show SMILES CCCCc1sc(Nc2ccc(OCCCN(CC)CC)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C32H38ClN3O2S/c1-4-7-9-30-31(24-10-16-28(17-11-24)38-29-18-12-25(33)13-19-29)35-32(39-30)34-26-14-20-27(21-15-26)37-23-8-22-36(5-2)6-3/h10-21H,4-9,22-23H2,1-3H3,(H,34,35)
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n/an/a 550n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402572
PNG
(CHEMBL2205559)
Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCC2CCCN(CC)C2)cc1
Show InChI InChI=1S/C33H37ClN2O2S/c1-3-5-8-31-32(25-9-17-29(18-10-25)38-30-19-13-27(34)14-20-30)35-33(39-31)26-11-15-28(16-12-26)37-23-24-7-6-21-36(4-2)22-24/h9-20,24H,3-8,21-23H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402565
PNG
(CHEMBL2205572)
Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C31H33ClN2O2S/c1-2-3-6-29-30(23-7-15-27(16-8-23)36-28-17-11-25(32)12-18-28)33-31(37-29)24-9-13-26(14-10-24)35-22-21-34-19-4-5-20-34/h7-18H,2-6,19-22H2,1H3
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n/an/a 910n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402564
PNG
(CHEMBL2205549)
Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H35ClN2O2S/c1-2-3-7-30-31(24-8-16-28(17-9-24)37-29-18-12-26(33)13-19-29)34-32(38-30)25-10-14-27(15-11-25)36-23-22-35-20-5-4-6-21-35/h8-19H,2-7,20-23H2,1H3
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n/an/a 1.04E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402575
PNG
(CHEMBL2205556)
Show SMILES CCCCc1sc(nc1-c1ccc(OCCCN(CC)CC)cc1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C32H37ClN2O2S/c1-4-7-9-30-31(24-10-16-27(17-11-24)36-23-8-22-35(5-2)6-3)34-32(38-30)25-12-18-28(19-13-25)37-29-20-14-26(33)15-21-29/h10-21H,4-9,22-23H2,1-3H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402570
PNG
(CHEMBL2205561)
Show SMILES CCCCc1nc(sc1-c1ccc(OCC2CCCN(CC)C2)cc1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H37ClN2O2S/c1-3-5-8-31-32(25-9-15-28(16-10-25)37-23-24-7-6-21-36(4-2)22-24)39-33(35-31)26-11-17-29(18-12-26)38-30-19-13-27(34)14-20-30/h9-20,24H,3-8,21-23H2,1-2H3
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n/an/a 1.14E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402563
PNG
(CHEMBL2205550)
Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCN2CCN(C)CC2)cc1
Show InChI InChI=1S/C32H36ClN3O2S/c1-3-4-5-30-31(24-6-14-28(15-7-24)38-29-16-10-26(33)11-17-29)34-32(39-30)25-8-12-27(13-9-25)37-23-22-36-20-18-35(2)19-21-36/h6-17H,3-5,18-23H2,1-2H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402566
PNG
(CHEMBL2205569)
Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN2CCN(C)CC2)cc1
Show InChI InChI=1S/C33H38ClN3O2S/c1-3-4-6-31-32(25-7-15-29(16-8-25)39-30-17-11-27(34)12-18-30)35-33(40-31)26-9-13-28(14-10-26)38-24-5-19-37-22-20-36(2)21-23-37/h7-18H,3-6,19-24H2,1-2H3
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n/an/a 1.24E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402561
PNG
(CHEMBL2205553)
Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCN(CC)CC)cc1
Show InChI InChI=1S/C31H35ClN2O2S/c1-4-7-8-29-30(23-9-17-27(18-10-23)36-28-19-13-25(32)14-20-28)33-31(37-29)24-11-15-26(16-12-24)35-22-21-34(5-2)6-3/h9-20H,4-8,21-22H2,1-3H3
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n/an/a 1.58E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402573
PNG
(CHEMBL2205558)
Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C32H37ClN2O2S/c1-4-7-9-30-31(24-10-18-28(19-11-24)37-29-20-14-26(33)15-21-29)34-32(38-30)25-12-16-27(17-13-25)36-23-8-22-35(5-2)6-3/h10-21H,4-9,22-23H2,1-3H3
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n/an/a 1.72E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402567
PNG
(CHEMBL2205568)
Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C33H37ClN2O2S/c1-2-3-8-31-32(25-9-17-29(18-10-25)38-30-19-13-27(34)14-20-30)35-33(39-31)26-11-15-28(16-12-26)37-24-7-23-36-21-5-4-6-22-36/h9-20H,2-8,21-24H2,1H3
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n/an/a 1.84E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402574
PNG
(CHEMBL2205557)
Show SMILES CCCCc1sc(nc1-c1ccc(OCC2CCCN(CC)C2)cc1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H37ClN2O2S/c1-3-5-8-31-32(25-9-15-28(16-10-25)37-23-24-7-6-21-36(4-2)22-24)35-33(39-31)26-11-17-29(18-12-26)38-30-19-13-27(34)14-20-30/h9-20,24H,3-8,21-23H2,1-2H3
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n/an/a 1.91E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402571
PNG
(CHEMBL2205560)
Show SMILES CCCCc1nc(sc1-c1ccc(OCCCN(CC)CC)cc1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C32H37ClN2O2S/c1-4-7-9-30-31(24-10-16-27(17-11-24)36-23-8-22-35(5-2)6-3)38-32(34-30)25-12-18-28(19-13-25)37-29-20-14-26(33)15-21-29/h10-21H,4-9,22-23H2,1-3H3
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n/an/a 2.01E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402562
PNG
(CHEMBL2205552)
Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C29H31ClN2O2S/c1-4-5-6-27-28(21-7-15-25(16-8-21)34-26-17-11-23(30)12-18-26)31-29(35-27)22-9-13-24(14-10-22)33-20-19-32(2)3/h7-18H,4-6,19-20H2,1-3H3
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n/an/a 3.18E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens (Human))
BDBM50402569
PNG
(CHEMBL2205565)
Show SMILES CCCCc1sc(NC(=O)c2ccc(OCCCN(CC)CC)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H38ClN3O3S/c1-4-7-9-30-31(24-10-18-28(19-11-24)40-29-20-14-26(34)15-21-29)35-33(41-30)36-32(38)25-12-16-27(17-13-25)39-23-8-22-37(5-2)6-3/h10-21H,4-9,22-23H2,1-3H3,(H,35,36,38)
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n/an/a 5.59E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human biotinylated RAGE assessed as inhibition of amyloid beta binding after 60 mins by ELISA


Bioorg Med Chem Lett 22: 7555-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.022
BindingDB Entry DOI: 10.7270/Q2XG9S9S
More data for this
Ligand-Target Pair