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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'nascimento' and Initial = 'as'   
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))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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n/an/a 159n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5795-802 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.010
BindingDB Entry DOI: 10.7270/Q2D221JC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM53804
PNG
(4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)m...)
Show SMILES [#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccccc2\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
Show InChI InChI=1S/C24H16O5/c25-22-18-6-2-3-7-19(18)23(26)20(22)13-17-5-1-4-8-21(17)29-14-15-9-11-16(12-10-15)24(27)28/h1-13H,14H2,(H,27,28)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5795-802 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.010
BindingDB Entry DOI: 10.7270/Q2D221JC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50387185
PNG
(CHEMBL2048021)
Show SMILES OC(=O)Cn1c(SCCOc2ccc3ccccc3c2)nc2ccccc12
Show InChI InChI=1S/C21H18N2O3S/c24-20(25)14-23-19-8-4-3-7-18(19)22-21(23)27-12-11-26-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13H,11-12,14H2,(H,24,25)
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PC cid
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Article
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n/an/a 2.22E+3n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5795-802 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.010
BindingDB Entry DOI: 10.7270/Q2D221JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50493700
PNG
(CHEMBL1426715)
Show SMILES OC(=O)c1ccc(cc1)-n1nnnc1SCc1ccccc1Br
Show InChI InChI=1S/C15H11BrN4O2S/c16-13-4-2-1-3-11(13)9-23-15-17-18-19-20(15)12-7-5-10(6-8-12)14(21)22/h1-8H,9H2,(H,21,22)
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n/an/a 5.13E+3n/an/an/an/an/an/a



Universidade Federal do ABC

Curated by ChEMBL


Assay Description
Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5795-802 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.010
BindingDB Entry DOI: 10.7270/Q2D221JC
More data for this
Ligand-Target Pair