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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'nogueira' and Initial = 'pcn'   
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 alpha


(Homo sapiens (Human))
BDBM50240436
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
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n/an/an/an/a 3.50E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50127222
PNG
(CHEMBL38508 | GW-0742 | {4-[2-(3-Fluoro-4-trifluor...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
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n/an/an/an/a 3.5n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50469660
PNG
(CHEMBL30915)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O
Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603418
PNG
(CHEMBL4800442)
Show SMILES CCCCCCCCCCCCCCCc1ccc(C(O)=O)c(O)c1
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n/an/an/an/a 8.90E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603419
PNG
(CHEMBL5173082)
Show SMILES CCCCCCCCCCCCCCCc1ccc(C(O)=O)c(OC)c1
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n/an/an/an/a 1.70E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603420
PNG
(CHEMBL5182467)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC(=O)OCC)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603421
PNG
(CHEMBL5198233)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC(C)(C)C(=O)OCC)c1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603422
PNG
(CHEMBL5198240)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC(O)=O)c1
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n/an/an/an/a 1.10E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603423
PNG
(CHEMBL5187974)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC(C)(C)C(O)=O)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603424
PNG
(CHEMBL5191595)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(OCC(=O)OCC)c1
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n/an/an/an/a 4.40E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603425
PNG
(CHEMBL5192854)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(OC(C)(C)C(=O)OCC)c1
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n/an/an/an/a 6.70E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603426
PNG
(CHEMBL5196042)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(OCC(O)=O)c1
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n/an/an/an/a 2.10E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603427
PNG
(CHEMBL5191280)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(OC(C)(C)C(O)=O)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | Decanoic Acid | Decanoic Acid Anion)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50147581
PNG
(1-tridecanecarboxylic acid | 14:0 | CH3-[CH2]12-CO...)
Show SMILES CCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
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n/an/an/an/a 1.30E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50240485
PNG
(18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Oc...)
Show SMILES CCCCCCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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n/an/an/an/a 4.00E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/an/an/a 3.60E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50099491
PNG
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)
Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50240436
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-hydroxy-6-...)
Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603417
PNG
(CHEMBL5177968)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC(C)=O)c1C(O)=O
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603419
PNG
(CHEMBL5173082)
Show SMILES CCCCCCCCCCCCCCCc1ccc(C(O)=O)c(OC)c1
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n/an/an/an/a 8.10E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603420
PNG
(CHEMBL5182467)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC(=O)OCC)c1
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n/an/an/an/a 2.90E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603421
PNG
(CHEMBL5198233)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC(C)(C)C(=O)OCC)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603422
PNG
(CHEMBL5198240)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC(O)=O)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603423
PNG
(CHEMBL5187974)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC(C)(C)C(O)=O)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603424
PNG
(CHEMBL5191595)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(OCC(=O)OCC)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603425
PNG
(CHEMBL5192854)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(OC(C)(C)C(=O)OCC)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603426
PNG
(CHEMBL5196042)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(OCC(O)=O)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50603427
PNG
(CHEMBL5191280)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(OC(C)(C)C(O)=O)c1
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n/an/an/an/a 1.78E+3n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | Decanoic Acid | Decanoic Acid Anion)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
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n/an/an/an/a 5.40E+4n/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/an/an/a 49n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50603417
PNG
(CHEMBL5177968)
Show SMILES CCCCCCCCCCCCCCCc1cccc(OC(C)=O)c1C(O)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01542
BindingDB Entry DOI: 10.7270/Q2H99983
More data for this
Ligand-Target Pair