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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with Target = 'Serum albumin' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Serum albumin


(Homo sapiens)
BDBM50078151
PNG
(CHEMBL3417691)
Show SMILES Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O
Show InChI InChI=1S/C29H25NO3/c1-19-9-2-4-12-21(19)23-14-7-15-24-25(28(29(31)32)30-27(23)24)16-8-18-33-26-17-6-11-20-10-3-5-13-22(20)26/h2-7,9-15,17,30H,8,16,18H2,1H3,(H,31,32)
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<30n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of probe S1 from recombinant human serum albumin domain 3 after 5 mins by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50078154
PNG
(CHEMBL3417694)
Show SMILES Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C35H36N2O4/c1-25-9-2-4-12-27(25)29-14-7-15-30-31(16-8-22-41-32-17-6-11-26-10-3-5-13-28(26)32)34(35(38)39)37(33(29)30)19-18-36-20-23-40-24-21-36/h2-7,9-15,17H,8,16,18-24H2,1H3,(H,38,39)
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360n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of probe S1 from recombinant human serum albumin domain 3 after 5 mins by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50424734
PNG
(CHEMBL2314198)
Show SMILES OC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12
Show InChI InChI=1S/C22H19NO3/c24-22(25)21-18(17-10-3-4-12-19(17)23-21)11-6-14-26-20-13-5-8-15-7-1-2-9-16(15)20/h1-5,7-10,12-13,23H,6,11,14H2,(H,24,25)
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400n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of probe S1 from recombinant human serum albumin domain 3 after 5 mins by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50078155
PNG
(CHEMBL3417697)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C34H38N4O4/c1-23-31(24(2)36(3)35-23)29-13-7-12-27-28(14-8-20-42-30-15-6-10-25-9-4-5-11-26(25)30)33(34(39)40)38(32(27)29)17-16-37-18-21-41-22-19-37/h4-7,9-13,15H,8,14,16-22H2,1-3H3,(H,39,40)
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1.45E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of probe S1 from recombinant human serum albumin domain 3 after 5 mins by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50078156
PNG
(CHEMBL3417696)
Show SMILES OCCCc1c([nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C12H13NO3/c14-7-3-5-9-8-4-1-2-6-10(8)13-11(9)12(15)16/h1-2,4,6,13-14H,3,5,7H2,(H,15,16)
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>1.00E+5n/an/an/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Displacement of probe S1 from recombinant human serum albumin domain 3 after 5 mins by fluorescence polarization assay


J Med Chem 58: 2180-94 (2015)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 3.0 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 2.1 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 1.3 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Evaluated for inhibition of Serum albumin evoked PNPA hydrolysis in presence of 0.7 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50112213
PNG
(1-Azido-2-bromo-2-chloro-1,1-difluoro-ethane | CHE...)
Show SMILES FC(F)(N=[N+]=[N-])C(Cl)Br
Show InChI InChI=1S/C2HBrClF2N3/c3-1(4)2(5,6)8-9-7/h1H
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50112209
PNG
(3-Bromo-3-trifluoromethyl-3H-diazirine | CHEMBL298...)
Show InChI InChI=1S/C2BrF3N2/c3-1(7-8-1)2(4,5)6
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n/an/a 4.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50112214
PNG
(3-Bromo-3-(2-chloro-1,1,2-trifluoro-ethyl)-3H-diaz...)
Show InChI InChI=1S/C3HBrClF3N2/c4-3(9-10-3)2(7,8)1(5)6/h1H
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n/an/a 7.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50112210
PNG
(3-(2-Bromo-2-chloro-1,1-difluoro-ethyl)-3H-diaziri...)
Show InChI InChI=1S/C3H2BrClF2N2/c4-1(5)3(6,7)2-8-9-2/h1-2H
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n/an/a 8.00E+5n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50112215
PNG
(2-Diazo-1,1,1-trifluoro-ethane | CHEMBL54683)
Show SMILES FC(F)(F)[CH-][N+]#N
Show InChI InChI=1S/C2HF3N2/c3-2(4,5)1-7-6/h1H
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n/an/a 1.20E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50112211
PNG
(3-(2-Chloro-1,1,2-trifluoro-ethyl)-3-fluoro-3H-dia...)
Show InChI InChI=1S/C3HClF4N2/c4-1(5)2(6,7)3(8)9-10-3/h1H
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n/an/a 2.20E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50112212
PNG
(1,1,1-trifluoro-2-bromo-2-chloroethane | 1,1,1-tri...)
Show SMILES FC(F)(F)C(Cl)Br
Show InChI InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
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n/an/a 2.90E+6n/an/an/an/an/an/a



University of Pennsylvania Health System

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound bound to tryptophan containing region of Serum albumin in fluorescence quenching


J Med Chem 45: 1879-86 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serum albumin


(Homo sapiens)
BDBM50031636
PNG
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O3/c1-8(2)13-11-6-9(3)4-5-10(11)12(7-16)14(17)15(13)18/h4-8,17-18H,1-3H3
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n/an/an/a 660n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)


J Med Chem 38: 2427-32 (1995)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50031637
PNG
(8,8'-Bis-(1-imino-ethyl)-5,5'-diisopropyl-3,3'-dim...)
Show SMILES CC(C)c1c(O)c(O)c(C(C)=N)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(C)=N)c2c1O
Show InChI InChI=1S/C32H36N2O6/c1-11(2)19-17-9-13(5)21(27(35)25(17)23(15(7)33)31(39)29(19)37)22-14(6)10-18-20(12(3)4)30(38)32(40)24(16(8)34)26(18)28(22)36/h9-12,33-40H,1-8H3
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n/an/an/a 3.00E+3n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)


J Med Chem 38: 2427-32 (1995)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50031638
PNG
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(H,18,19)
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n/an/an/a 5.28E+3n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)


J Med Chem 38: 2427-32 (1995)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50031639
PNG
(6,7,6',7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1cc2c(C(O)=O)c(O)c(O)c(C(C)C)c2cc1C
Show InChI InChI=1S/C30H30O8/c1-11(2)21-17-7-13(5)15(9-19(17)23(29(35)36)27(33)25(21)31)16-10-20-18(8-14(16)6)22(12(3)4)26(32)28(34)24(20)30(37)38/h7-12,31-34H,1-6H3,(H,35,36)(H,37,38)
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n/an/an/a 1.50E+3n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)


J Med Chem 38: 2427-32 (1995)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50031640
PNG
(1,6,7,1',6',7'-Hexahydroxy-5,5'-diisopropyl-3,3'-d...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(O)=O)c2c1O
Show InChI InChI=1S/C30H30O10/c1-9(2)15-13-7-11(5)17(23(31)19(13)21(29(37)38)27(35)25(15)33)18-12(6)8-14-16(10(3)4)26(34)28(36)22(30(39)40)20(14)24(18)32/h7-10,31-36H,1-6H3,(H,37,38)(H,39,40)
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n/an/an/a 90n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)


J Med Chem 38: 2427-32 (1995)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50031641
PNG
(6,7,6',7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2cc(c(C)cc12)-c1cc2c(C=O)c(O)c(O)c(C(C)C)c2cc1C
Show InChI InChI=1S/C30H30O6/c1-13(2)25-21-7-15(5)17(9-19(21)23(11-31)27(33)29(25)35)18-10-20-22(8-16(18)6)26(14(3)4)30(36)28(34)24(20)12-32/h7-14,33-36H,1-6H3
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)


J Med Chem 38: 2427-32 (1995)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/an/a 9.20E+3n/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
The compound was evaluated for albumin associating affinity along with 2.1 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/an/a 7.60E+3n/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
The compound was evaluated for albumin associating affinity along with 3.0 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118509
PNG
(9-[5-Amino-4-[3-amino-6-(1-methylamino-ethyl)-tetr...)
Show SMILES CNC(C)[C@H]1CCC(N)[C@@H](O[C@@H]2C(N)C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)O1
Show InChI InChI=1S/C36H53N5O12S/c1-17(39-3)27-12-11-24(37)33(51-27)52-30-25(38)14-26(31(28(30)42)53-34-29(43)32(40-4)36(2,45)16-50-34)41-35(44)49-15-23-20-8-6-5-7-19(20)21-10-9-18(13-22(21)23)54(46,47)48/h5-10,13,17,23-34,39-40,42-43,45H,11-12,14-16,37-38H2,1-4H3,(H,41,44)(H,46,47,48)/t17?,23?,24?,25?,26-,27-,28-,29+,30-,31?,32?,33-,34-,36+/m1/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
The compound was evaluated for pharmacokinetic parameters Serum albumin associating affinity


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/an/a 3.20E+4n/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
The compound was evaluated for albumin associating affinity 0.7 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118508
PNG
(CHEMBL264831 | FMS3-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C66H73N5O22S3/c1-33(67-3)55-24-23-52(69-63(74)87-29-49-40-14-8-5-11-37(40)43-20-17-34(25-46(43)49)94(78,79)80)61(91-55)92-58-53(70-64(75)88-30-50-41-15-9-6-12-38(41)44-21-18-35(26-47(44)50)95(81,82)83)28-54(59(56(58)72)93-62-57(73)60(68-4)66(2,77)32-90-62)71-65(76)89-31-51-42-16-10-7-13-39(42)45-22-19-36(27-48(45)51)96(84,85)86/h5-22,25-27,33,49-62,67-68,72-73,77H,23-24,28-32H2,1-4H3,(H,69,74)(H,70,75)(H,71,76)(H,78,79,80)(H,81,82,83)(H,84,85,86)/t33?,49?,50?,51?,52?,53?,54-,55-,56-,57+,58-,59?,60?,61-,62-,66+/m1/s1
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n/an/an/a 1.72E+4n/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
The compound was evaluated for albumin associating affinity along with 1.3 M of FMS


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50118510
PNG
(CHEMBL384757 | FMS2-gentamicin C1)
Show SMILES CNC(C)[C@H]1CCC(N)[C@@H](O[C@@H]2C(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccc(cc34)S(O)(=O)=O)C(O[C@H]3OC[C@](C)(O)C(NC)[C@@H]3O)[C@@H]2O)NC(=O)OCC2c3ccccc3-c3ccc(cc23)S(O)(=O)=O)O1
Show InChI InChI=1S/C51H63N5O17S2/c1-25(53-3)41-18-17-38(52)47(71-41)72-44-39(55-49(59)68-22-36-30-11-7-5-9-28(30)32-15-13-26(19-34(32)36)74(62,63)64)21-40(45(42(44)57)73-48-43(58)46(54-4)51(2,61)24-70-48)56-50(60)69-23-37-31-12-8-6-10-29(31)33-16-14-27(20-35(33)37)75(65,66)67/h5-16,19-20,25,36-48,53-54,57-58,61H,17-18,21-24,52H2,1-4H3,(H,55,59)(H,56,60)(H,62,63,64)(H,65,66,67)/t25?,36?,37?,38?,39?,40-,41-,42-,43+,44-,45?,46?,47-,48-,51+/m1/s1
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n/an/an/a 9.20E+3n/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
The compound was evaluated for pharmacokinetic parameters Serum albumin associating affinity


J Med Chem 45: 4264-70 (2002)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50135926
PNG
(2-({3-[(E)-2-(4-Isopropyl-thiazol-2-yl)-vinyl]-phe...)
Show SMILES CC(C)c1csc(\C=C\c2cccc(NC(=O)Cc3ccccc3C(O)=O)c2)n1
Show InChI InChI=1S/C23H22N2O3S/c1-15(2)20-14-29-22(25-20)11-10-16-6-5-8-18(12-16)24-21(26)13-17-7-3-4-9-19(17)23(27)28/h3-12,14-15H,13H2,1-2H3,(H,24,26)(H,27,28)/b11-10+
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n/an/an/a 280n/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Protein binding affinity for human serum albumin was measured


Bioorg Med Chem Lett 13: 4205-8 (2003)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50135923
PNG
(8-[(E)-2-(4-Isopropyl-thiazol-2-yl)-vinyl]-3-(1H-t...)
Show SMILES CC(C)c1csc(C=Cc2ccn3c(c2)ncc(-c2nnn[nH]2)c3=O)n1
Show InChI InChI=1S/C17H15N7OS/c1-10(2)13-9-26-15(19-13)4-3-11-5-6-24-14(7-11)18-8-12(17(24)25)16-20-22-23-21-16/h3-10H,1-2H3,(H,20,21,22,23)
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n/an/an/a 2.20E+4n/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Protein binding affinity for human serum albumin was measured


Bioorg Med Chem Lett 13: 4205-8 (2003)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50135924
PNG
(8-(4-Isopropyl-thiazol-2-ylmethoxy)-3-(1H-tetrazol...)
Show SMILES CC(C)c1csc(COc2ccn3c(c2)ncc(-c2nnn[nH]2)c3=O)n1
Show InChI InChI=1S/C16H15N7O2S/c1-9(2)12-8-26-14(18-12)7-25-10-3-4-23-13(5-10)17-6-11(16(23)24)15-19-21-22-20-15/h3-6,8-9H,7H2,1-2H3,(H,19,20,21,22)
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n/an/an/a 6.64E+4n/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Protein binding affinity for human serum albumin was measured


Bioorg Med Chem Lett 13: 4205-8 (2003)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50135925
PNG
(8-[2-(4-Isopropyl-thiazol-2-yl)-ethyl]-3-(1H-tetra...)
Show SMILES CC(C)c1csc(CCc2ccn3c(c2)ncc(-c2nnn[nH]2)c3=O)n1
Show InChI InChI=1S/C17H17N7OS/c1-10(2)13-9-26-15(19-13)4-3-11-5-6-24-14(7-11)18-8-12(17(24)25)16-20-22-23-21-16/h5-10H,3-4H2,1-2H3,(H,20,21,22,23)
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n/an/an/a 3.27E+5n/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Protein binding affinity for human serum albumin was measured


Bioorg Med Chem Lett 13: 4205-8 (2003)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM21400
PNG
(CHEMBL192571 | N-[(4-{[(2R)-4-(dimethylamino)-1-(p...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
Show InChI InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-12-10-24(11-13-26)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-25(16-19-35(3)4)23-43-27-8-6-5-7-9-27/h5-15,22,25,33H,16-21,23H2,1-4H3,(H,34,38)/t25-/m1/s1
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n/an/an/a 1.36E+4n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human serum albumin domain III


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50181875
PNG
(4-((R)-3-dimethylamino-1-phenylsulfanylmethylpropy...)
Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C39H47N5O7S2/c1-42(2)21-19-32(28-52-33-9-5-4-6-10-33)40-36-18-16-34(27-37(36)44(46)47)53(48,49)41-39(45)31-14-12-30(13-15-31)35-17-11-29(26-38(35)50-3)8-7-20-43-22-24-51-25-23-43/h4-6,9-18,26-27,32,40H,7-8,19-25,28H2,1-3H3,(H,41,45)/t32-/m1/s1
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n/an/an/a 9.40E+4n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human serum albumin domain III


J Med Chem 49: 1165-81 (2006)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50209511
PNG
(5-cyano-2-(2-(3-(2-methoxyethoxy)propylthio)nicoti...)
Show SMILES COCCOCCCSc1ccc(cn1)C(=O)Nc1ccc(cc1C(O)=O)C#N
Show InChI InChI=1S/C20H21N3O5S/c1-27-8-9-28-7-2-10-29-18-6-4-15(13-22-18)19(24)23-17-5-3-14(12-21)11-16(17)20(25)26/h3-6,11,13H,2,7-10H2,1H3,(H,23,24)(H,25,26)
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n/an/an/a 700n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin


Bioorg Med Chem Lett 17: 3113-6 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50215044
PNG
(5-cyano-2-(2-(1-methyl-1H-indol-2-yl)vinyl)benzoic...)
Show SMILES Cn1c(\C=C\c2ccc(cc2C(O)=O)C#N)cc2ccccc12
Show InChI InChI=1S/C19H14N2O2/c1-21-16(11-15-4-2-3-5-18(15)21)9-8-14-7-6-13(12-20)10-17(14)19(22)23/h2-11H,1H3,(H,22,23)/b9-8+
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n/an/an/a 390n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity at human serum albumin


Bioorg Med Chem Lett 17: 4646-9 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219738
PNG
(5-chloro-2-(3-(morpholinosulfonyl)benzamido)benzoi...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H17ClN2O6S/c19-13-4-5-16(15(11-13)18(23)24)20-17(22)12-2-1-3-14(10-12)28(25,26)21-6-8-27-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)(H,23,24)
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n/an/an/a 6.50E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Displacement of fluorescent dansyl sarcosine from human serum albumin site II on subdomain IIIA


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219737
PNG
(5-bromo-2-(3-(morpholinosulfonyl)benzamido)benzoic...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H17BrN2O6S/c19-13-4-5-16(15(11-13)18(23)24)20-17(22)12-2-1-3-14(10-12)28(25,26)21-6-8-27-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)(H,23,24)
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n/an/an/a 4.80E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Displacement of fluorescent dansyl sarcosine from human serum albumin site II on subdomain IIIA


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219739
PNG
(5-methyl-2-(3-(morpholinosulfonyl)benzamido)benzoi...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c(c1)C(O)=O
Show InChI InChI=1S/C19H20N2O6S/c1-13-5-6-17(16(11-13)19(23)24)20-18(22)14-3-2-4-15(12-14)28(25,26)21-7-9-27-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)(H,23,24)
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n/an/an/a 7.50E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Displacement of fluorescent dansyl sarcosine from human serum albumin site II on subdomain IIIA


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219740
PNG
(5-methoxy-2-(3-(morpholinosulfonyl)benzamido)benzo...)
Show SMILES COc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c(c1)C(O)=O
Show InChI InChI=1S/C19H20N2O7S/c1-27-14-5-6-17(16(12-14)19(23)24)20-18(22)13-3-2-4-15(11-13)29(25,26)21-7-9-28-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)(H,23,24)
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n/an/an/a 8.10E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Displacement of fluorescent dansyl sarcosine from human serum albumin site II on subdomain IIIA


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219741
PNG
(5-cyano-2-(4-(morpholinosulfonyl)benzamido)benzoic...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C19H17N3O6S/c20-12-13-1-6-17(16(11-13)19(24)25)21-18(23)14-2-4-15(5-3-14)29(26,27)22-7-9-28-10-8-22/h1-6,11H,7-10H2,(H,21,23)(H,24,25)
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n/an/an/a 1.40E+4n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding to high affinity site of human serum albumin


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219741
PNG
(5-cyano-2-(4-(morpholinosulfonyl)benzamido)benzoic...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C19H17N3O6S/c20-12-13-1-6-17(16(11-13)19(24)25)21-18(23)14-2-4-15(5-3-14)29(26,27)22-7-9-28-10-8-22/h1-6,11H,7-10H2,(H,21,23)(H,24,25)
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n/an/an/a 5.30E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Displacement of fluorescent dansyl sarcosine from human serum albumin site II on subdomain IIIA


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219741
PNG
(5-cyano-2-(4-(morpholinosulfonyl)benzamido)benzoic...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C19H17N3O6S/c20-12-13-1-6-17(16(11-13)19(24)25)21-18(23)14-2-4-15(5-3-14)29(26,27)22-7-9-28-10-8-22/h1-6,11H,7-10H2,(H,21,23)(H,24,25)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding to low affinity site of human serum albumin


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219742
PNG
(5-fluoro-2-(3-(morpholinosulfonyl)benzamido)benzoi...)
Show SMILES OC(=O)c1cc(F)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H17FN2O6S/c19-13-4-5-16(15(11-13)18(23)24)20-17(22)12-2-1-3-14(10-12)28(25,26)21-6-8-27-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)(H,23,24)
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n/an/an/a 6.60E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Displacement of fluorescent dansyl sarcosine from human serum albumin site II on subdomain IIIA


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219743
PNG
(2-(3-(morpholinosulfonyl)benzamido)-5-nitrobenzoic...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O8S/c22-17(19-16-5-4-13(21(25)26)11-15(16)18(23)24)12-2-1-3-14(10-12)30(27,28)20-6-8-29-9-7-20/h1-5,10-11H,6-9H2,(H,19,22)(H,23,24)
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n/an/an/a 4.40E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Displacement of fluorescent dansyl sarcosine from human serum albumin site II on subdomain IIIA


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50219744
PNG
(2-(3-(morpholinosulfonyl)benzamido)benzoic acid | ...)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18N2O6S/c21-17(19-16-7-2-1-6-15(16)18(22)23)13-4-3-5-14(12-13)27(24,25)20-8-10-26-11-9-20/h1-7,12H,8-11H2,(H,19,21)(H,22,23)
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n/an/an/a 6.00E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Displacement of fluorescent dansyl sarcosine from human serum albumin site II on subdomain IIIA


Bioorg Med Chem Lett 17: 5479-82 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50125289
PNG
((S)-3-[3'-(3-Cyclopropyl-ureido)-biphenyl-4-yl]-2-...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NC2CC2)c1)C(O)=O
Show InChI InChI=1S/C28H31N3O5S/c1-17-13-18(2)26(19(3)14-17)37(35,36)31-25(27(32)33)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)30-28(34)29-23-11-12-23/h4-10,13-14,16,23,25,31H,11-12,15H2,1-3H3,(H,32,33)(H2,29,30,34)/t25-/m0/s1
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n/an/an/a 740n/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by equilibrium dialysis


Bioorg Med Chem Lett 17: 6151-4 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50223891
PNG
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O
Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1
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n/an/an/a 420n/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by equilibrium dialysis


Bioorg Med Chem Lett 17: 6151-4 (2007)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50271238
PNG
(6-{4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}...)
Show SMILES OC(=O)CCCCCOc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C20H22O5/c21-17-12-16(13-18(22)14-17)6-5-15-7-9-19(10-8-15)25-11-3-1-2-4-20(23)24/h5-10,12-14,21-22H,1-4,11H2,(H,23,24)/b6-5+
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n/an/an/a 382n/an/an/an/an/a



East Tennessee State University

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin at 4 uM by UV-vis measurement


Bioorg Med Chem 16: 6406-14 (2008)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50307986
PNG
(2,3,4,5-Tetrahydro-4-(2-chlorophenyl)-6-dimethylam...)
Show SMILES CN(C)C1=NN(CN(C1=O)c1ccccc1Cl)c1ccccc1
Show InChI InChI=1S/C17H17ClN4O/c1-20(2)16-17(23)21(15-11-7-6-10-14(15)18)12-22(19-16)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
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n/an/an/a 7.96E+3n/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Binding affinity to HSA after 30 mins assessed as quenching of intrinsic HSA fluorescence emission by spectrofluorimetric assay


Bioorg Med Chem 18: 1816-21 (2010)

More data for this
Ligand-Target Pair
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