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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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