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Compile Data Set for Download or QSAR

Found 588 hits Enz. Inhib. hit(s) with Target = 'Albumin'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Albumin


(Homo sapiens (Human))
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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PubMed
<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)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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354n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475378
PNG
(CHEMBL189321)
Show SMILES NCc1cc(ccc1F)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H12FNO2/c15-13-6-5-11(7-12(13)8-16)9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H,17,18)
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1.00E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475366
PNG
(CHEMBL189647)
Show SMILES NCc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H13NO2/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8H,9,15H2,(H,16,17)
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1.00E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50078155
PNG
(CHEMBL3417697)
Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(O)=O)n(CCN3CCOCC3)c12 |(-7.41,-13.93,;-6.18,-13.93,;-5.27,-15.18,;-3.8,-14.7,;-2.8,-15.42,;-3.8,-13.16,;-2.81,-12.42,;-5.26,-12.7,;-5.75,-11.24,;-7.28,-10.92,;-7.77,-9.46,;-6.73,-8.28,;-5.22,-8.61,;-3.98,-7.73,;-3.99,-6.18,;-2.65,-5.41,;-2.66,-3.86,;-1.33,-3.08,;-1.33,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;-2.74,-8.58,;-1.29,-8.07,;-.35,-8.87,;-1.06,-6.85,;-3.2,-10.06,;-2.28,-11.29,;-.75,-11.11,;.17,-12.35,;1.71,-12.18,;2.63,-13.42,;2.01,-14.83,;.48,-15.01,;-.44,-13.77,;-4.74,-10.07,)|
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)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
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2.29E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475368
PNG
(CHEMBL364310)
Show SMILES C[C@@H](C(=O)NCCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C17H23F3N2O4S/c1-13(16(23)21-9-4-12-22-10-2-3-11-22)14-5-7-15(8-6-14)26-27(24,25)17(18,19)20/h5-8,13H,2-4,9-12H2,1H3,(H,21,23)/t13-/m1/s1
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2.69E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50449349
PNG
(CHEMBL193114)
Show SMILES Nc1cccc(c1)-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C13H11NO3/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16)17/h1-7,15H,14H2,(H,16,17)
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2.75E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475379
PNG
(CHEMBL192949)
Show SMILES OC(=O)c1cccc(c1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H8F6O2/c16-14(17,18)11-5-10(6-12(7-11)15(19,20)21)8-2-1-3-9(4-8)13(22)23/h1-7H,(H,22,23)
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3.09E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50517250
PNG
(CHEMBL4554026)
Show SMILES CC(=O)CC(c1ccc(I)cc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H15IO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3
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3.30E+3n/an/an/an/an/an/an/an/a



Lavis

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin assessed as inhibition constant by NMR spectroscopy


J Med Chem 62: 2218-2244 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01210
BindingDB Entry DOI: 10.7270/Q2BP065B
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50517250
PNG
(CHEMBL4554026)
Show SMILES CC(=O)CC(c1ccc(I)cc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H15IO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3
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3.30E+3n/an/an/an/an/an/an/an/a



Lavis

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by fluorescence-based assay


J Med Chem 62: 2218-2244 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01210
BindingDB Entry DOI: 10.7270/Q2BP065B
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475372
PNG
(CHEMBL190243)
Show SMILES C[C@@H](C(=O)NCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C16H21F3N2O4S/c1-12(15(22)20-8-11-21-9-2-3-10-21)13-4-6-14(7-5-13)25-26(23,24)16(17,18)19/h4-7,12H,2-3,8-11H2,1H3,(H,20,22)/t12-/m1/s1
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3.89E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475375
PNG
(CHEMBL189951)
Show SMILES CC(Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H19NO5S/c1-9(14(17)18)8-11-4-6-12(7-5-11)10(2)13(16)15-21(3,19)20/h4-7,9-10H,8H2,1-3H3,(H,15,16)(H,17,18)/t9?,10-/m1/s1
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3.89E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475367
PNG
(CHEMBL188136)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NCCCN(C)C
Show InChI InChI=1S/C18H30N2O/c1-14(2)13-16-7-9-17(10-8-16)15(3)18(21)19-11-6-12-20(4)5/h7-10,14-15H,6,11-13H2,1-5H3,(H,19,21)/t15-/m1/s1
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5.01E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475380
PNG
(CHEMBL421459)
Show SMILES OC(=O)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H8Cl2O2/c14-11-5-10(6-12(15)7-11)8-2-1-3-9(4-8)13(16)17/h1-7H,(H,16,17)
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5.75E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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5.88E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50475382
PNG
(CHEMBL371115)
Show SMILES Nc1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H11NO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,14H2,(H,15,16)
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6.16E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475371
PNG
(CHEMBL189593)
Show SMILES Nc1cccc(c1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C13H11NO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,14H2,(H,15,16)
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7.76E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475373
PNG
(CHEMBL372867)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NCCOCCO
Show InChI InChI=1S/C17H27NO3/c1-13(2)12-15-4-6-16(7-5-15)14(3)17(20)18-8-10-21-11-9-19/h4-7,13-14,19H,8-12H2,1-3H3,(H,18,20)/t14-/m1/s1
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8.12E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50149238
PNG
(4-Hydroxybiphenyl | 4-Phenylphenol | 4-biphenylol ...)
Show SMILES Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
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9.54E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475377
PNG
(CHEMBL190391)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NCCCN1CCCCC1
Show InChI InChI=1S/C21H34N2O/c1-17(2)16-19-8-10-20(11-9-19)18(3)21(24)22-12-7-15-23-13-5-4-6-14-23/h8-11,17-18H,4-7,12-16H2,1-3H3,(H,22,24)/t18-/m1/s1
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9.54E+3n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
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1.51E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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1.51E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50475381
PNG
(CHEMBL364714)
Show SMILES C[C@@H](C(N)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C10H10F3NO4S/c1-6(9(14)15)7-2-4-8(5-3-7)18-19(16,17)10(11,12)13/h2-6H,1H3,(H2,14,15)/t6-/m1/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475374
PNG
(CHEMBL189544)
Show SMILES CC(C)(C)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)
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2.04E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50240969
PNG
(5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...)
Show SMILES OC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
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2.13E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475369
PNG
(CHEMBL192999)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H8Cl2O2/c14-10-4-5-11(12(15)7-10)8-2-1-3-9(6-8)13(16)17/h1-7H,(H,16,17)
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2.39E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50103504
PNG
(CHEBI:9352 | Clinoril | Sulindac)
Show SMILES C[S+]([O-])c1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:10|
Show InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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2.63E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475383
PNG
(CHEMBL193949)
Show SMILES CC(C)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C10H12O3/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,11H,1-2H3,(H,12,13)
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2.63E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50344965
PNG
(1-(4-chlorophenylsulfonyl)-3-propylurea | 4-chloro...)
Show SMILES CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
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3.98E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475365
PNG
(CHEMBL192965)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C16H23NO3/c1-10(2)9-13-5-7-14(8-6-13)11(3)15(18)17-12(4)16(19)20/h5-8,10-12H,9H2,1-4H3,(H,17,18)(H,19,20)/t11-,12-/m1/s1
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3.98E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50027886
PNG
(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
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3.98E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50240099
PNG
(CHEBI:9613 | Tolazamide | Tolinase | U-17835)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1
Show InChI InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
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5.37E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50240510
PNG
(CHEMBL898 | DIFLUNISAL)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F
Show InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
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5.88E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50475376
PNG
(CHEMBL193998)
Show SMILES COc1ccc2C(=O)N(Cc2c1)c1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C18H17NO4/c1-11(18(21)22)12-3-5-14(6-4-12)19-10-13-9-15(23-2)7-8-16(13)17(19)20/h3-9,11H,10H2,1-2H3,(H,21,22)
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8.12E+4n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50219500
PNG
(2-Hydroxy-5-phenylbenzoic acid | 4-Hydroxy-bipheny...)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C13H10O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
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1.00E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50027952
PNG
(5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acet...)
Show SMILES Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)
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1.09E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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1.38E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/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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1.65E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50060971
PNG
(Biphenyl-4-carboxylic acid | CHEMBL107057)
Show SMILES OC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
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1.99E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM85511
PNG
(CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...)
Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)
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2.08E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50022271
PNG
(2-(3-Benzoylphenyl)propionic acid | 2-(3-benzoylph...)
Show SMILES CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
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2.08E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50195793
PNG
(CHEMBL123234)
Show SMILES OC(=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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2.51E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50074922
PNG
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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3.31E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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3.31E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50295287
PNG
(2-(1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)ace...)
Show SMILES Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C
Show InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
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4.16E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50475370
PNG
(DF-2156A | Ladarixin)
Show SMILES C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1
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8.31E+5n/an/an/an/an/an/an/an/a



Molecular Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human serum albumin


J Med Chem 48: 2469-79 (2005)


Article DOI: 10.1021/jm049227l
BindingDB Entry DOI: 10.7270/Q2125WDN
More data for this
Ligand-Target Pair
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