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PubMed code 17709248

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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))
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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Article
PubMed
n/an/an/a 6.50E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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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PubMed
n/an/an/a 5.30E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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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PubMed
n/an/an/a 6.00E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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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PubMed
n/an/an/a 4.80E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
Albumin


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



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding to high affinity site of human serum albumin


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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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PubMed
n/an/an/a 6.60E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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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PubMed
n/an/an/a 4.40E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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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PubMed
n/an/an/a 8.10E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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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PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding to low affinity site of human serum albumin


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
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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PubMed
n/an/an/a 7.50E+3n/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.05.006
BindingDB Entry DOI: 10.7270/Q2KD1XN3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%