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PubMed code 20153202

Compile data set for download or QSAR
Found 5 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))
BDBM50307986
PNG
(2,3,4,5-Tetrahydro-4-(2-chlorophenyl)-6-dimethylam...)
Show SMILES CN(C)C1=NN(CN(C1=O)c1ccccc1Cl)c1ccccc1 |t:3|
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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Article
PubMed
n/an/an/a 7.96E+3n/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


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


Bioorg Med Chem 18: 1816-21 (2010)


Article DOI: 10.1016/j.bmc.2010.01.053
BindingDB Entry DOI: 10.7270/Q2ZK5GS5
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50307983
PNG
(2,3,4,5-Tetrahydro-4-(2-chlorophenyl)-2-phenyl-6-(...)
Show SMILES Clc1ccccc1N1CN(N=C(N2CCCC2)C1=O)c1ccccc1 |t:11|
Show InChI InChI=1S/C19H19ClN4O/c20-16-10-4-5-11-17(16)23-14-24(15-8-2-1-3-9-15)21-18(19(23)25)22-12-6-7-13-22/h1-5,8-11H,6-7,12-14H2
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PubMed
n/an/an/a 2.46E+3n/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


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


Bioorg Med Chem 18: 1816-21 (2010)


Article DOI: 10.1016/j.bmc.2010.01.053
BindingDB Entry DOI: 10.7270/Q2ZK5GS5
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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Article
PubMed
n/an/an/a 7.86E+4n/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


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


Bioorg Med Chem 18: 1816-21 (2010)


Article DOI: 10.1016/j.bmc.2010.01.053
BindingDB Entry DOI: 10.7270/Q2ZK5GS5
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50307985
PNG
(2,3,4,5-Tetrahydro-4-(2-chlorophenyl)-2-(4-chlorop...)
Show SMILES CN(C)C1=NN(CN(C1=O)c1ccccc1Cl)c1ccc(Cl)cc1 |t:3|
Show InChI InChI=1S/C17H16Cl2N4O/c1-21(2)16-17(24)22(15-6-4-3-5-14(15)19)11-23(20-16)13-9-7-12(18)8-10-13/h3-10H,11H2,1-2H3
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Article
PubMed
n/an/an/a 1.02E+4n/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


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


Bioorg Med Chem 18: 1816-21 (2010)


Article DOI: 10.1016/j.bmc.2010.01.053
BindingDB Entry DOI: 10.7270/Q2ZK5GS5
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50307984
PNG
(2,3,4,5-Tetrahydro-4-(2-chlorophenyl)-2-(4-chlorop...)
Show SMILES Clc1ccc(cc1)N1CN(C(=O)C(=N1)N1CCCC1)c1ccccc1Cl |c:13|
Show InChI InChI=1S/C19H18Cl2N4O/c20-14-7-9-15(10-8-14)25-13-24(17-6-2-1-5-16(17)21)19(26)18(22-25)23-11-3-4-12-23/h1-2,5-10H,3-4,11-13H2
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Article
PubMed
n/an/an/a 2.77E+3n/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


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


Bioorg Med Chem 18: 1816-21 (2010)


Article DOI: 10.1016/j.bmc.2010.01.053
BindingDB Entry DOI: 10.7270/Q2ZK5GS5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%