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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 507.4
BDBM50397836
Wt: 507.4
BDBM50397837
Wt: 535.1
BDBM50402561
Wt: 507.0
BDBM50402562
Wt: 562.1
BDBM50402563
Wt: 547.1
BDBM50402564
Wt: 533.1
BDBM50402565
Wt: 561.1
BDBM50402567
Wt: 564.1
BDBM50402568
Wt: 561.1
BDBM50402570
Wt: 549.1
BDBM50402571
Wt: 561.1
BDBM50402572
Wt: 549.1
BDBM50402573
Wt: 561.1
BDBM50402574
Wt: 549.1
BDBM50402575
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
BDBM50397837
PNG
(CHEMBL2179074)
Show SMILES CCN(CC)CCOc1ccccc1Nc1nc(cc(n1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O/c1-3-34(4-2)17-18-35-27-8-6-5-7-24(27)31-28-32-25(20-9-13-22(29)14-10-20)19-26(33-28)21-11-15-23(30)16-12-21/h5-16,19H,3-4,17-18H2,1-2H3,(H,31,32,33)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant biotinylated receptor for advanced glycation end product expressed in Escherichia coli DE3 assessed as inhibition of ...


J Med Chem 55: 9120-35 (2012)


Article DOI: 10.1021/jm300172z
BindingDB Entry DOI: 10.7270/Q289170G
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens)
BDBM50397836
PNG
(CHEMBL2179073)
Show SMILES CCN(CC)CCOc1cccc(Nc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C28H28Cl2N4O/c1-3-34(4-2)16-17-35-25-7-5-6-24(18-25)31-28-32-26(20-8-12-22(29)13-9-20)19-27(33-28)21-10-14-23(30)15-11-21/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,31,32,33)
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n/an/a 1.65E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant biotinylated receptor for advanced glycation end product expressed in Escherichia coli DE3 assessed as inhibition of ...


J Med Chem 55: 9120-35 (2012)


Article DOI: 10.1021/jm300172z
BindingDB Entry DOI: 10.7270/Q289170G
More data for this
Ligand-Target Pair
Advanced glycosylation end product-specific receptor


(Homo sapiens)
BDBM50397836
PNG
(CHEMBL2179073)
Show SMILES CCN(CC)CCOc1cccc(Nc2nc(cc(n2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C28H28Cl2N4O/c1-3-34(4-2)16-17-35-25-7-5-6-24(18-25)31-28-32-26(20-8-12-22(29)13-9-20)19-27(33-28)21-10-14-23(30)15-11-21/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,31,32,33)
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n/an/an/a 1.02E+5n/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant bitinylated receptor for advanced glycation end product expressed in Escherichia coli DE3 after 1 min by surfac...


J Med Chem 55: 9120-35 (2012)


Article DOI: 10.1021/jm300172z
BindingDB Entry DOI: 10.7270/Q289170G
More data for this
Ligand-Target Pair