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Compile Data Set for Download or QSAR

Found 286 hits of ic50 for UniProtKB: P02769   
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
Serum albumin


(Bos taurus)
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 3.00E+3n/an/an/an/an/an/a



European Molecular Biology Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to bovine serum albumin


Bioorg Med Chem 16: 1162-73 (2008)


Article DOI: 10.1016/j.bmc.2007.10.080
BindingDB Entry DOI: 10.7270/Q2319WSC
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425942
PNG
(CHEMBL2313740)
Show SMILES COc1ccc(NC(=S)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1
Show InChI InChI=1S/C22H23FN4O3S/c1-29-17-5-3-16(4-6-17)25-22(31)24-13-20(28)27-10-8-14(9-11-27)21-18-7-2-15(23)12-19(18)30-26-21/h2-7,12,14H,8-11,13H2,1H3,(H2,24,25,31)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425923
PNG
(CHEMBL2313709)
Show SMILES COc1ccc(NC(=S)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1
Show InChI InChI=1/C25H27FN4O3S/c1-32-19-7-5-18(6-8-19)27-25(34)30-12-2-3-21(30)24(31)29-13-10-16(11-14-29)23-20-9-4-17(26)15-22(20)33-28-23/h4-9,15-16,21H,2-3,10-14H2,1H3,(H,27,34)
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425946
PNG
(CHEMBL2313736)
Show SMILES COc1ccccc1NC(=S)NCC(=O)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C22H23FN4O3S/c1-29-18-5-3-2-4-17(18)25-22(31)24-13-20(28)27-10-8-14(9-11-27)21-16-7-6-15(23)12-19(16)30-26-21/h2-7,12,14H,8-11,13H2,1H3,(H2,24,25,31)
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425911
PNG
(CHEMBL2313700)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1cccc(Br)c1
Show InChI InChI=1/C24H24BrFN4O2S/c25-16-3-1-4-18(13-16)27-24(33)30-10-2-5-20(30)23(31)29-11-8-15(9-12-29)22-19-7-6-17(26)14-21(19)32-28-22/h1,3-4,6-7,13-15,20H,2,5,8-12H2,(H,27,33)
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425932
PNG
(CHEMBL2313729)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1cccc(Br)c1
Show InChI InChI=1S/C21H20BrFN4O2S/c22-14-2-1-3-16(10-14)25-21(30)24-12-19(28)27-8-6-13(7-9-27)20-17-5-4-15(23)11-18(17)29-26-20/h1-5,10-11,13H,6-9,12H2,(H2,24,25,30)
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425927
PNG
(CHEMBL2313705)
Show SMILES COc1ccccc1NC(=S)N1CCCC1C(=O)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1/C25H27FN4O3S/c1-32-21-7-3-2-5-19(21)27-25(34)30-12-4-6-20(30)24(31)29-13-10-16(11-14-29)23-18-9-8-17(26)15-22(18)33-28-23/h2-3,5,7-9,15-16,20H,4,6,10-14H2,1H3,(H,27,34)
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425934
PNG
(CHEMBL2313727)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1ccccc1Br
Show InChI InChI=1S/C21H20BrFN4O2S/c22-16-3-1-2-4-17(16)25-21(30)24-12-19(28)27-9-7-13(8-10-27)20-15-6-5-14(23)11-18(15)29-26-20/h1-6,11,13H,7-10,12H2,(H2,24,25,30)
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425910
PNG
(CHEMBL2313701)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1/C24H24BrFN4O3/c25-16-3-6-18(7-4-16)27-24(32)30-11-1-2-20(30)23(31)29-12-9-15(10-13-29)22-19-8-5-17(26)14-21(19)33-28-22/h3-8,14-15,20H,1-2,9-13H2,(H,27,32)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425912
PNG
(CHEMBL2313699)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1cccc(Br)c1
Show InChI InChI=1/C24H24BrFN4O3/c25-16-3-1-4-18(13-16)27-24(32)30-10-2-5-20(30)23(31)29-11-8-15(9-12-29)22-19-7-6-17(26)14-21(19)33-28-22/h1,3-4,6-7,13-15,20H,2,5,8-12H2,(H,27,32)
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425913
PNG
(CHEMBL2313698)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccccc1Br
Show InChI InChI=1/C24H24BrFN4O2S/c25-18-4-1-2-5-19(18)27-24(33)30-11-3-6-20(30)23(31)29-12-9-15(10-13-29)22-17-8-7-16(26)14-21(17)32-28-22/h1-2,4-5,7-8,14-15,20H,3,6,9-13H2,(H,27,33)
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425921
PNG
(CHEMBL2313711)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccccc1F
Show InChI InChI=1/C24H24F2N4O2S/c25-16-7-8-17-21(14-16)32-28-22(17)15-9-12-29(13-10-15)23(31)20-6-3-11-30(20)24(33)27-19-5-2-1-4-18(19)26/h1-2,4-5,7-8,14-15,20H,3,6,9-13H2,(H,27,33)
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425931
PNG
(CHEMBL2313730)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C21H20BrFN4O3/c22-14-1-4-16(5-2-14)25-21(29)24-12-19(28)27-9-7-13(8-10-27)20-17-6-3-15(23)11-18(17)30-26-20/h1-6,11,13H,7-10,12H2,(H2,24,25,29)
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425940
PNG
(CHEMBL2313719)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=S)Nc1ccccc1F
Show InChI InChI=1S/C21H20F2N4O2S/c22-14-5-6-15-18(11-14)29-26-20(15)13-7-9-27(10-8-13)19(28)12-24-21(30)25-17-4-2-1-3-16(17)23/h1-6,11,13H,7-10,12H2,(H2,24,25,30)
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425933
PNG
(CHEMBL2313728)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C21H20BrFN4O3/c22-14-2-1-3-16(10-14)25-21(29)24-12-19(28)27-8-6-13(7-9-27)20-17-5-4-15(23)11-18(17)30-26-20/h1-5,10-11,13H,6-9,12H2,(H2,24,25,29)
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50182491
PNG
(CHEBI:69015 | MALABARICONE C | Malabaricone C)
Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O
Show InChI InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



CSIR-National Institute for Interdisciplinary Science and Technology

Curated by ChEMBL


Assay Description
Antiglycation activity in bovine serum albumin assessed as inhibition of advanced glycated end product formation after 24 hrs in presence of alpha-D-...


Bioorg Med Chem 26: 3461-3467 (2018)

More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425944
PNG
(CHEMBL2313738)
Show SMILES COc1cccc(NC(=S)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1
Show InChI InChI=1S/C22H23FN4O3S/c1-29-17-4-2-3-16(12-17)25-22(31)24-13-20(28)27-9-7-14(8-10-27)21-18-6-5-15(23)11-19(18)30-26-21/h2-6,11-12,14H,7-10,13H2,1H3,(H2,24,25,31)
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n/an/a 1.53E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50182487
PNG
(MALABARICONE A | Malabaricone A)
Show SMILES Oc1cccc(O)c1C(=O)CCCCCCCCc1ccccc1
Show InChI InChI=1S/C21H26O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16,23-24H,1-4,6,9,11,14H2
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n/an/a 1.93E+4n/an/an/an/an/an/a



CSIR-National Institute for Interdisciplinary Science and Technology

Curated by ChEMBL


Assay Description
Antiglycation activity in bovine serum albumin assessed as inhibition of advanced glycated end product formation after 24 hrs in presence of alpha-D-...


Bioorg Med Chem 26: 3461-3467 (2018)

More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425943
PNG
(CHEMBL2313739)
Show SMILES COc1ccc(NC(=O)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1
Show InChI InChI=1S/C22H23FN4O4/c1-30-17-5-3-16(4-6-17)25-22(29)24-13-20(28)27-10-8-14(9-11-27)21-18-7-2-15(23)12-19(18)31-26-21/h2-7,12,14H,8-11,13H2,1H3,(H2,24,25,29)
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n/an/a 1.95E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425947
PNG
(CHEMBL2313735)
Show SMILES COc1ccccc1NC(=O)NCC(=O)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C22H23FN4O4/c1-30-18-5-3-2-4-17(18)25-22(29)24-13-20(28)27-10-8-14(9-11-27)21-16-7-6-15(23)12-19(16)31-26-21/h2-7,12,14H,8-11,13H2,1H3,(H2,24,25,29)
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PubMed
n/an/a 2.02E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425925
PNG
(CHEMBL2313707)
Show SMILES COc1cccc(NC(=S)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1
Show InChI InChI=1/C25H27FN4O3S/c1-32-19-5-2-4-18(15-19)27-25(34)30-11-3-6-21(30)24(31)29-12-9-16(10-13-29)23-20-8-7-17(26)14-22(20)33-28-23/h2,4-5,7-8,14-16,21H,3,6,9-13H2,1H3,(H,27,34)
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n/an/a 2.05E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425945
PNG
(CHEMBL2313737)
Show SMILES COc1cccc(NC(=O)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1
Show InChI InChI=1S/C22H23FN4O4/c1-30-17-4-2-3-16(12-17)25-22(29)24-13-20(28)27-9-7-14(8-10-27)21-18-6-5-15(23)11-19(18)31-26-21/h2-6,11-12,14H,7-10,13H2,1H3,(H2,24,25,29)
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n/an/a 2.11E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425924
PNG
(CHEMBL2313708)
Show SMILES COc1ccc(NC(=O)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1
Show InChI InChI=1/C25H27FN4O4/c1-33-19-7-5-18(6-8-19)27-25(32)30-12-2-3-21(30)24(31)29-13-10-16(11-14-29)23-20-9-4-17(26)15-22(20)34-28-23/h4-9,15-16,21H,2-3,10-14H2,1H3,(H,27,32)
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n/an/a 2.21E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50265392
PNG
(CHEMBL4088576)
Show SMILES OC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1
Show InChI InChI=1S/C19H15NO4/c21-18(20-15-8-3-7-14(11-15)19(22)23)12-24-17-10-4-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,20,21)(H,22,23)
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n/an/a 2.33E+4n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Binding affinity to bovine serum albumin by tryptophan quenching based HTS assay


Bioorg Med Chem Lett 27: 2029-2037 (2017)

More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM51295
PNG
(8-Amino-2-thioxo-2,3-dihydro-1H-benzo[g]pteridin-4...)
Show SMILES Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
Show InChI InChI=1S/C10H7N5OS/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(16)15-10(17)14-8/h1-3H,11H2,(H2,13,14,15,16,17)
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n/an/a 2.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM84369
PNG
(6-chloranyl-7-[4-(2-hydroxyethyl)piperazin-1-yl]-5...)
Show SMILES OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl
Show InChI InChI=1S/C16H17ClN2O5/c17-13-14(19-5-3-18(4-6-19)7-8-20)16(24)12-10(22)2-1-9(21)11(12)15(13)23/h1-2,20,23-24H,3-8H2
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n/an/a 2.91E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425928
PNG
(CHEMBL2313704)
Show SMILES COc1ccccc1NC(=O)N1CCCC1C(=O)N1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1/C25H27FN4O4/c1-33-21-7-3-2-5-19(21)27-25(32)30-12-4-6-20(30)24(31)29-13-10-16(11-14-29)23-18-9-8-17(26)15-22(18)34-28-23/h2-3,5,7-9,15-16,20H,4,6,10-14H2,1H3,(H,27,32)
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425926
PNG
(CHEMBL2313706)
Show SMILES COc1cccc(NC(=O)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)c1
Show InChI InChI=1/C25H27FN4O4/c1-33-19-5-2-4-18(15-19)27-25(32)30-11-3-6-21(30)24(31)29-12-9-16(10-13-29)23-20-8-7-17(26)14-22(20)34-28-23/h2,4-5,7-8,14-16,21H,3,6,9-13H2,1H3,(H,27,32)
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n/an/a 3.34E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50182486
PNG
(MALABARICONE B)
Show SMILES Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1
Show InChI InChI=1S/C21H26O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,22,24-25H,1-6,8-9H2
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n/an/a 4.03E+4n/an/an/an/an/an/a



CSIR-National Institute for Interdisciplinary Science and Technology

Curated by ChEMBL


Assay Description
Antiglycation activity in bovine serum albumin assessed as inhibition of advanced glycated end product formation after 24 hrs in presence of alpha-D-...


Bioorg Med Chem 26: 3461-3467 (2018)

More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50217942
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...)
Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/s2
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n/an/a 4.19E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425922
PNG
(CHEMBL2313710)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccccc1F
Show InChI InChI=1/C24H24F2N4O3/c25-16-7-8-17-21(14-16)33-28-22(17)15-9-12-29(13-10-15)23(31)20-6-3-11-30(20)24(32)27-19-5-2-1-4-18(19)26/h1-2,4-5,7-8,14-15,20H,3,6,9-13H2,(H,27,32)
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n/an/a 5.48E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425941
PNG
(CHEMBL2313718)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1ccccc1F
Show InChI InChI=1S/C21H20F2N4O3/c22-14-5-6-15-18(11-14)30-26-20(15)13-7-9-27(10-8-13)19(28)12-24-21(29)25-17-4-2-1-3-16(17)23/h1-6,11,13H,7-10,12H2,(H2,24,25,29)
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n/an/a 5.55E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425914
PNG
(CHEMBL2313697)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=S)Nc1ccc(Cl)cc1
Show InChI InChI=1/C24H24ClFN4O2S/c25-16-3-6-18(7-4-16)27-24(33)30-11-1-2-20(30)23(31)29-12-9-15(10-13-29)22-19-8-5-17(26)14-21(19)32-28-22/h3-8,14-15,20H,1-2,9-13H2,(H,27,33)
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n/an/a 5.94E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425915
PNG
(CHEMBL2313717)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)C1CCCN1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1/C24H24ClFN4O3/c25-16-3-6-18(7-4-16)27-24(32)30-11-1-2-20(30)23(31)29-12-9-15(10-13-29)22-19-8-5-17(26)14-21(19)33-28-22/h3-8,14-15,20H,1-2,9-13H2,(H,27,32)
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n/an/a 6.03E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425937
PNG
(CHEMBL2313722)
Show SMILES Fc1ccc(NC(=S)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1
Show InChI InChI=1S/C21H20F2N4O2S/c22-14-1-4-16(5-2-14)25-21(30)24-12-19(28)27-9-7-13(8-10-27)20-17-6-3-15(23)11-18(17)29-26-20/h1-6,11,13H,7-10,12H2,(H2,24,25,30)
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n/an/a 7.03E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425918
PNG
(CHEMBL2313714)
Show SMILES Fc1ccc(NC(=S)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1
Show InChI InChI=1/C24H24F2N4O2S/c25-16-3-6-18(7-4-16)27-24(33)30-11-1-2-20(30)23(31)29-12-9-15(10-13-29)22-19-8-5-17(26)14-21(19)32-28-22/h3-8,14-15,20H,1-2,9-13H2,(H,27,33)
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n/an/a 7.09E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425938
PNG
(CHEMBL2313721)
Show SMILES Fc1ccc(NC(=O)NCC(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1
Show InChI InChI=1S/C21H20F2N4O3/c22-14-1-4-16(5-2-14)25-21(29)24-12-19(28)27-9-7-13(8-10-27)20-17-6-3-15(23)11-18(17)30-26-20/h1-6,11,13H,7-10,12H2,(H2,24,25,29)
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n/an/a 7.58E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425919
PNG
(CHEMBL2313713)
Show SMILES Fc1ccc(NC(=O)N2CCCC2C(=O)N2CCC(CC2)c2noc3cc(F)ccc23)cc1
Show InChI InChI=1/C24H24F2N4O3/c25-16-3-6-18(7-4-16)27-24(32)30-11-1-2-20(30)23(31)29-12-9-15(10-13-29)22-19-8-5-17(26)14-21(19)33-28-22/h3-8,14-15,20H,1-2,9-13H2,(H,27,32)
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n/an/a 7.61E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50425935
PNG
(CHEMBL2313725)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)CNC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClFN4O3/c22-14-1-4-16(5-2-14)25-21(29)24-12-19(28)27-9-7-13(8-10-27)20-17-6-3-15(23)11-18(17)30-26-20/h1-6,11,13H,7-10,12H2,(H2,24,25,29)
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n/an/a 8.39E+4n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of ...


Eur J Med Chem 60: 325-32 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.029
BindingDB Entry DOI: 10.7270/Q2JQ1292
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM50056891
PNG
(2-Hydroxy-benzoic acid N'-(2-hydroxy-benzoyl)-hydr...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C14H12N2O4/c17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18/h1-8,17-18H,(H,15,19)(H,16,20)
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n/an/a>9.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM83183
PNG
(4-keto-8-nitro-1H-quinoline-3-carboxylic acid | 8-...)
Show SMILES OC(=O)c1cnc2c(cccc2c1O)[N+]([O-])=O
Show InChI InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96345
PNG
(2-hydroxy-3,5,7-trimethylol-cyclohepta-2,4,6-trien...)
Show SMILES OCc1cc(CO)c(O)c(=O)c(CO)c1
Show InChI InChI=1S/C10H12O5/c11-3-6-1-7(4-12)9(14)10(15)8(2-6)5-13/h1-2,11-13H,3-5H2,(H,14,15)
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96338
PNG
(MLS000687233 | N-(acetamidocarbamothioyl)-4-methyl...)
Show SMILES CC(=O)NNC(=S)NC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C11H13N3O2S/c1-7-3-5-9(6-4-7)10(16)12-11(17)14-13-8(2)15/h3-6H,1-2H3,(H,13,15)(H2,12,14,16,17)
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96409
PNG
(3-methyl-N'-salicyloyl-coumarilohydrazide | MLS001...)
Show SMILES Cc1c(oc2ccccc12)C(=O)NNC(=O)c1ccccc1O
Show InChI InChI=1S/C17H14N2O4/c1-10-11-6-3-5-9-14(11)23-15(10)17(22)19-18-16(21)12-7-2-4-8-13(12)20/h2-9,20H,1H3,(H,18,21)(H,19,22)
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96312
PNG
(1-[[1-(3,4-dichlorobenzyl)-2-keto-nicotinoyl]amino...)
Show SMILES CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
Show InChI InChI=1S/C15H14Cl2N4O2S/c1-18-15(24)20-19-13(22)10-3-2-6-21(14(10)23)8-9-4-5-11(16)12(17)7-9/h2-7H,8H2,1H3,(H,19,22)(H2,18,20,24)
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM88802
PNG
(MLS001229931 | N-[(E)-3-furanylmethylideneamino]-3...)
Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1ccoc1
Show InChI InChI=1S/C12H10N2O4/c15-10-3-9(4-11(16)5-10)12(17)14-13-6-8-1-2-18-7-8/h1-7,15-16H,(H,14,17)/b13-6+
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM82903
PNG
(1-hydroxy-N'-(4-methylbenzoyl)-2-naphthohydraz...)
Show SMILES Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2ccccc2c1O
Show InChI InChI=1S/C19H16N2O3/c1-12-6-8-14(9-7-12)18(23)20-21-19(24)16-11-10-13-4-2-3-5-15(13)17(16)22/h2-11,22H,1H3,(H,20,23)(H,21,24)
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96411
PNG
(MLS003170719 | N'-[(E)-(3,5-dichloro-6-keto-cycloh...)
Show SMILES Cc1onc(c1C(=O)NN=Cc1cc(Cl)cc(Cl)c1O)-c1ccccc1
Show InChI InChI=1S/C18H13Cl2N3O3/c1-10-15(16(23-26-10)11-5-3-2-4-6-11)18(25)22-21-9-12-7-13(19)8-14(20)17(12)24/h2-9,24H,1H3,(H,22,25)/b21-9+
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96367
PNG
(3,4,5-trihydroxy-N'-[(1E)-pyridin-3-ylmethylen...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccnc1
Show InChI InChI=1S/C13H11N3O4/c17-10-4-9(5-11(18)12(10)19)13(20)16-15-7-8-2-1-3-14-6-8/h1-7,17-19H,(H,16,20)/b15-7+
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM52917
PNG
(2-Hydroxy-benzoic acid N'-[2,4,6-trioxo-1-phen...)
Show SMILES Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O
Show InChI InChI=1S/C20H18N4O5/c25-16-9-5-4-8-14(16)18(27)23-21-12-15-17(26)22-20(29)24(19(15)28)11-10-13-6-2-1-3-7-13/h1-9,12,21,25H,10-11H2,(H,23,27)(H,22,26,29)/b15-12+
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n/an/a>9.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
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