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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'iannini' and Initial = 'kb'   
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50320887
PNG
(3-(2-Chloro-6-fluoro-benzyl)-5-(2,4-dichlorobenzyl...)
Show SMILES Fc1cccc(Cl)c1CN1C(=O)S\C(=C/c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C17H9Cl3FNO2S/c18-10-5-4-9(13(20)7-10)6-15-16(23)22(17(24)25-15)8-11-12(19)2-1-3-14(11)21/h1-7H,8H2/b15-6-
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Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma ligand binding domain expressed in Escherichia coli BL21 after 12 hrs by liquid scintillation ...


Bioorg Med Chem 18: 3805-11 (2010)


Article DOI: 10.1016/j.bmc.2010.04.045
BindingDB Entry DOI: 10.7270/Q28S4Q24
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50320886
PNG
(3-(2-Bromo-benzyl)-5-(4-methanesulfonyl-benzyliden...)
Show SMILES CS(=O)(=O)c1ccc(\C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1
Show InChI InChI=1S/C18H14BrNO4S2/c1-26(23,24)14-8-6-12(7-9-14)10-16-17(21)20(18(22)25-16)11-13-4-2-3-5-15(13)19/h2-10H,11H2,1H3/b16-10-
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Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma ligand binding domain expressed in Escherichia coli BL21 after 12 hrs by liquid scintillation ...


Bioorg Med Chem 18: 3805-11 (2010)


Article DOI: 10.1016/j.bmc.2010.04.045
BindingDB Entry DOI: 10.7270/Q28S4Q24
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50320884
PNG
(3-(3-Chloro-benzyl)-5-(4-methanesulfonyl-benzylide...)
Show SMILES CS(=O)(=O)c1ccc(\C=C2/SC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C18H14ClNO4S2/c1-26(23,24)15-7-5-12(6-8-15)10-16-17(21)20(18(22)25-16)11-13-3-2-4-14(19)9-13/h2-10H,11H2,1H3/b16-10-
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Article
PubMed
4.30E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma ligand binding domain expressed in Escherichia coli BL21 after 12 hrs by liquid scintillation ...


Bioorg Med Chem 18: 3805-11 (2010)


Article DOI: 10.1016/j.bmc.2010.04.045
BindingDB Entry DOI: 10.7270/Q28S4Q24
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50320885
PNG
(5-Bipheny-4-ylmethylene-3-(3-chloro-benzyl)-thiazo...)
Show SMILES Clc1cccc(CN2C(=O)S\C(=C/c3ccc(cc3)-c3ccccc3)C2=O)c1
Show InChI InChI=1S/C23H16ClNO2S/c24-20-8-4-5-17(13-20)15-25-22(26)21(28-23(25)27)14-16-9-11-19(12-10-16)18-6-2-1-3-7-18/h1-14H,15H2/b21-14-
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Article
PubMed
4.36E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Pernambuco

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma ligand binding domain expressed in Escherichia coli BL21 after 12 hrs by liquid scintillation ...


Bioorg Med Chem 18: 3805-11 (2010)


Article DOI: 10.1016/j.bmc.2010.04.045
BindingDB Entry DOI: 10.7270/Q28S4Q24
More data for this
Ligand-Target Pair