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Compile Data Set for Download or QSAR

Found 413 hits Enz. Inhib. hit(s) with Target = 'Serum 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
Serum albumin


(Bos taurus)
BDBM50375422
PNG
(CHEMBL260520)
Show SMILES CCN(CC)c1ccc2nc3c(cc(=O)c4ccc(OCCCC(O)=O)cc34)oc2c1
Show InChI InChI=1S/C24H24N2O5/c1-3-26(4-2)15-7-10-19-21(12-15)31-22-14-20(27)17-9-8-16(13-18(17)24(22)25-19)30-11-5-6-23(28)29/h7-10,12-14H,3-6,11H2,1-2H3,(H,28,29)
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n/an/an/an/a 1.50E+3n/an/an/an/a



European Molecular Biology Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to bovine serum albumin


Bioorg Med Chem 16: 1162-73 (2008)


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


(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)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
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)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
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)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
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)


Article DOI: 10.1021/jm501258m
BindingDB Entry DOI: 10.7270/Q2HX1FC8
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)


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


(Homo sapiens)
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1
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n/an/an/a 1.20E+4n/an/an/an/an/a



CNRS-CPBS/UMR 5236

Curated by ChEMBL


Assay Description
Binding affinity to first site on human serum albumin by SPR


Antimicrob Agents Chemother 53: 1528-31 (2009)


Article DOI: 10.1128/AAC.00971-08
BindingDB Entry DOI: 10.7270/Q2SN09ZK
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50422012
PNG
(Klinomycin | MINOCYCLINE | Minocin | Vectrin)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
Show InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,14,16-17,27,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,14?,16?,17-,23-/m0/s1
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n/an/an/a 1.20E+4n/an/an/an/an/a



CNRS-CPBS/UMR 5236

Curated by ChEMBL


Assay Description
Binding affinity to first site on human serum albumin by SPR


Antimicrob Agents Chemother 53: 1528-31 (2009)


Article DOI: 10.1128/AAC.00971-08
BindingDB Entry DOI: 10.7270/Q2SN09ZK
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/an/a 5.50E+4n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 4.68E+3n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serum albumin


(Homo sapiens)
BDBM50338982
PNG
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
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n/an/an/a 6.46E+5n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
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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n/an/an/a 6.03E+3n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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n/an/an/a 3.09E+5n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 4.37E+5n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM85031
PNG
(CAS_604-75-1 | NSC_4616 | Oxazepam)
Show SMILES OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
Show InChI InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
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n/an/an/a 6.92E+4n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
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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n/an/an/a 1.23E+3n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serum albumin


(Homo sapiens)
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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n/an/an/a 2.46E+3n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serum albumin


(Homo sapiens)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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n/an/an/a 2.45E+4n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serum albumin


(Homo sapiens)
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/an/a 8.51E+5n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 3.55E+5n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to 50 uM human serum albumin at 10 uM by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 6.61E+5n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to 100 uM human serum albumin at 10 uM by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 6.03E+5n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to 300 uM human serum albumin at 10 uM by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 4.37E+5n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to 100 uM human serum albumin at 50 uM by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 6.31E+5n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to 600 uM human serum albumin at 10 uM by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM96307
PNG
(2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-N-[4-(4-meth...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1
Show InChI InChI=1S/C21H23FN6O3S/c1-15-10-12-27(13-11-15)32(30,31)17-8-6-16(7-9-17)23-20(29)14-28-25-21(24-26-28)18-4-2-3-5-19(18)22/h2-9,15H,10-14H2,1H3,(H,23,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96308
PNG
(6-bromanyl-3-[4-(furan-2-ylcarbonyl)piperazin-1-yl...)
Show SMILES COc1cc(Br)cc2cc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c(=O)oc12
Show InChI InChI=1S/C20H17BrN2O6/c1-27-16-11-13(21)9-12-10-14(20(26)29-17(12)16)18(24)22-4-6-23(7-5-22)19(25)15-3-2-8-28-15/h2-3,8-11H,4-7H2,1H3
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM40991
PNG
(5,6-bis(2-furanyl)-4-furo[2,3-d]pyrimidinamine | 5...)
Show SMILES Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
Show InChI InChI=1S/C14H9N3O3/c15-13-11-10(8-3-1-5-18-8)12(9-4-2-6-19-9)20-14(11)17-7-16-13/h1-7H,(H2,15,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96309
PNG
((E)-3-(2-furanyl)-N-[2-oxo-2-[(2Z)-2-(2-oxo-1-prop...)
Show SMILES C=CCN1C(=O)\C(=N/NC(=O)CNC(=O)\C=C\c2ccco2)c2ccccc12
Show InChI InChI=1S/C20H18N4O4/c1-2-11-24-16-8-4-3-7-15(16)19(20(24)27)23-22-18(26)13-21-17(25)10-9-14-6-5-12-28-14/h2-10,12H,1,11,13H2,(H,21,25)(H,22,26)/b10-9+,23-19-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM34702
PNG
((4E)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-1,3...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C12H13N3O3S/c1-7-6-19-12(13-2)15(7)14-5-8-3-4-9(16)11(18)10(8)17/h3-6,16-18H,1-2H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM40697
PNG
(4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1,2...)
Show SMILES Oc1ccc(cc1O)-c1cn2CCSc2n1
Show InChI InChI=1S/C11H10N2O2S/c14-9-2-1-7(5-10(9)15)8-6-13-3-4-16-11(13)12-8/h1-2,5-6,14-15H,3-4H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96310
PNG
(4-methylbenzenesulfonic acid [4-[(E)-[[2-(4-chloro...)
Show SMILES COc1cc(\C=N\NC(=O)COc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H21ClN2O6S/c1-16-3-10-20(11-4-16)33(28,29)32-21-12-5-17(13-22(21)30-2)14-25-26-23(27)15-31-19-8-6-18(24)7-9-19/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96311
PNG
(1-[[1-(3-chlorobenzyl)-2-keto-nicotinoyl]amino]-3-...)
Show SMILES CNC(=S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C15H15ClN4O2S/c1-17-15(23)19-18-13(21)12-6-3-7-20(14(12)22)9-10-4-2-5-11(16)8-10/h2-8H,9H2,1H3,(H,18,21)(H2,17,19,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


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



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96313
PNG
(1-[[1-(2,4-dichlorobenzyl)-2-keto-nicotinoyl]amino...)
Show SMILES CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O
Show InChI InChI=1S/C15H14Cl2N4O2S/c1-18-15(24)20-19-13(22)11-3-2-6-21(14(11)23)8-9-4-5-10(16)7-12(9)17/h2-7H,8H2,1H3,(H,19,22)(H2,18,20,24)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM50130318
PNG
(CHEMBL95615 | N-allyl-2-{[1-(3-chlorobenzyl)-2-oxo...)
Show SMILES Clc1cccc(Cn2cccc(C(=O)NNC(=S)NCC=C)c2=O)c1
Show InChI InChI=1S/C17H17ClN4O2S/c1-2-8-19-17(25)21-20-15(23)14-7-4-9-22(16(14)24)11-12-5-3-6-13(18)10-12/h2-7,9-10H,1,8,11H2,(H,20,23)(H2,19,21,25)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96314
PNG
(3,5-dimethoxy-N'-{4-methoxy-3-[(2-naphthyloxy)...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N\N=C\c1ccc(OC)c(COc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C28H26N2O5/c1-32-25-14-22(15-26(16-25)33-2)28(31)30-29-17-19-8-11-27(34-3)23(12-19)18-35-24-10-9-20-6-4-5-7-21(20)13-24/h4-17H,18H2,1-3H3,(H,30,31)/b29-17+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM65750
PNG
(MLS-0315708.0001 | N-[(E)-(4-fluorobenzylidene)ami...)
Show SMILES Fc1ccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
Show InChI InChI=1S/C21H14FN3O2/c22-15-9-7-14(8-10-15)13-23-25-21(26)17-12-19(20-6-3-11-27-20)24-18-5-2-1-4-16(17)18/h1-13H,(H,25,26)/b23-13+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM52403
PNG
(MLS000577818 | N'-(2-chlorobenzoyl)-1-hydroxy-...)
Show SMILES Oc1c(ccc2ccccc12)C(=O)NNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H13ClN2O3/c19-15-8-4-3-7-13(15)17(23)20-21-18(24)14-10-9-11-5-1-2-6-12(11)16(14)22/h1-10,22H,(H,20,23)(H,21,24)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM53785
PNG
(MLS000595208 | N'-(3,5-dibromo-2-hydroxybenzyl...)
Show SMILES Oc1c(Br)cc(Br)cc1C=NNC(=O)CP(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17Br2N2O3P/c22-16-11-15(21(27)19(23)12-16)13-24-25-20(26)14-29(28,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,27H,14H2,(H,25,26)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96315
PNG
(MLS000585923 | N-((E)-1-{[(2E)-2-(2-hydroxy-3,5-di...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c(=O)[c-](\C=[NH+]\NC(=O)C(\NC(=O)c2ccccc2)=C/c2cccs2)c1
Show InChI InChI=1S/C21H14N5O7S/c27-19-14(9-15(25(30)31)10-18(19)26(32)33)12-22-24-21(29)17(11-16-7-4-8-34-16)23-20(28)13-5-2-1-3-6-13/h1-12H,(H,23,28)(H,24,29)/q-1/p+1/b17-11+,22-12+
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96316
PNG
(2-Hydroxy-benzoic acid N'-[4-(4-oxo-5-thiophen...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)CCCN1C(=S)S\C(=C/c2cccs2)C1=O
Show InChI InChI=1S/C19H17N3O4S3/c23-14-7-2-1-6-13(14)17(25)21-20-16(24)8-3-9-22-18(26)15(29-19(22)27)11-12-5-4-10-28-12/h1-2,4-7,10-11,23H,3,8-9H2,(H,20,24)(H,21,25)/b15-11-
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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM61171
PNG
(MLS000595133 | N'-[(5-benzylidene-2,4-dioxo-1,...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)CN1C(=O)S\C(=C/c2ccccc2)C1=O
Show InChI InChI=1S/C19H15N3O5S/c23-14-9-5-4-8-13(14)17(25)21-20-16(24)11-22-18(26)15(28-19(22)27)10-12-6-2-1-3-7-12/h1-10,23H,11H2,(H,20,24)(H,21,25)/b15-10-
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96317
PNG
(2-Hydroxy-benzoic acid N'-[2-(4-benzyl-5-pheny...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C24H21N5O3S/c30-20-14-8-7-13-19(20)23(32)27-25-21(31)16-33-24-28-26-22(18-11-5-2-6-12-18)29(24)15-17-9-3-1-4-10-17/h1-14,30H,15-16H2,(H,25,31)(H,27,32)
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM60505
PNG
((4Z)-2-hydroxy-4-[[[9-(phenylmethyl)-6-purinyl]hyd...)
Show SMILES Oc1ccc(CN=Nc2ncnc3n(Cc4ccccc4)cnc23)cc1O
Show InChI InChI=1S/C19H16N6O2/c26-15-7-6-14(8-16(15)27)9-23-24-18-17-19(21-11-20-18)25(12-22-17)10-13-4-2-1-3-5-13/h1-8,11-12,26-27H,9-10H2
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM55552
PNG
(MLS000585554 | N'-{[(5Z)-5-(3,4-dimethoxybenzy...)
Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC
Show InChI InChI=1S/C21H19N3O7S/c1-30-15-8-7-12(9-16(15)31-2)10-17-20(28)24(21(29)32-17)11-18(26)22-23-19(27)13-5-3-4-6-14(13)25/h3-10,25H,11H2,1-2H3,(H,22,26)(H,23,27)/b17-10-
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM50994
PNG
(2-hydroxy-N'-{[5-(4-methoxybenzylidene)-2,4-di...)
Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1
Show InChI InChI=1S/C20H17N3O6S/c1-29-13-8-6-12(7-9-13)10-16-19(27)23(20(28)30-16)11-17(25)21-22-18(26)14-4-2-3-5-15(14)24/h2-10,24H,11H2,1H3,(H,21,25)(H,22,26)/b16-10-
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM50227
PNG
(3-[[(E)-(3-methyl-5-nitro-6-oxidanylidene-cyclohex...)
Show SMILES Cc1cc([N+]([O-])=O)c(=O)[c-](\C=[NH+]\n2c(COc3ccccc3C)nc3ccccc3c2=O)c1
Show InChI InChI=1S/C24H19N4O5/c1-15-11-17(23(29)20(12-15)28(31)32)13-25-27-22(14-33-21-10-6-3-7-16(21)2)26-19-9-5-4-8-18(19)24(27)30/h3-13H,14H2,1-2H3/q-1/p+1/b25-13+
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM53806
PNG
(2-Hydroxy-benzoic acid N'-{2-[4-benzyl-5-(2-hy...)
Show SMILES Oc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1
Show InChI InChI=1S/C24H21N5O4S/c30-19-12-6-4-10-17(19)22-26-28-24(29(22)14-16-8-2-1-3-9-16)34-15-21(32)25-27-23(33)18-11-5-7-13-20(18)31/h1-13,30-31H,14-15H2,(H,25,32)(H,27,33)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2013)


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


(Bos taurus)
BDBM96318
PNG
(MLS000585468 | N'-[(1E)-(5-bromo-2-hydroxy-3-n...)
Show SMILES Cc1cc(C(=O)N\[NH+]=C\[c-]2cc(Br)cc([N+]([O-])=O)c2=O)c2ccccc2n1
Show InChI InChI=1S/C18H12BrN4O4/c1-10-6-14(13-4-2-3-5-15(13)21-10)18(25)22-20-9-11-7-12(19)8-16(17(11)24)23(26)27/h2-9H,1H3,(H,22,25)/q-1/p+1/b20-9+
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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


(Bos taurus)
BDBM64619
PNG
(MLS000585467 | N'-[(1E)-(5-chloro-2-hydroxy-3-...)
Show SMILES Cc1cc(C(=O)N\[NH+]=C\[c-]2cc(Cl)cc([N+]([O-])=O)c2=O)c2ccccc2n1
Show InChI InChI=1S/C18H12ClN4O4/c1-10-6-14(13-4-2-3-5-15(13)21-10)18(25)22-20-9-11-7-12(19)8-16(17(11)24)23(26)27/h2-9H,1H3,(H,22,25)/q-1/p+1/b20-9+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


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