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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'goldstein' and Initial = 'jt'   
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


(Mus musculus)
BDBM50591456
PNG
(CHEMBL5207130)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
PDB
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n/an/a 0.140n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591460
PNG
(CHEMBL5191837)
Show SMILES Cc1cncc(c1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591456
PNG
(CHEMBL5207130)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
PDB
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n/an/a 0.170n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591479
PNG
(CHEMBL5187164)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591459
PNG
(CHEMBL5179281)
Show SMILES COc1ccc(cc1F)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591461
PNG
(CHEMBL5206512)
Show SMILES CCc1ccc(cn1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591480
PNG
(CHEMBL5207464)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3I)[N+]([O-])=O)ccc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591466
PNG
(CHEMBL5204936)
Show SMILES Cc1ccc(cc1)-n1nc2ccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)cc2n1
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n/an/a 0.320n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591456
PNG
(CHEMBL5207130)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591465
PNG
(CHEMBL5201278)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2nc(cn2c1)-c1ccccc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591468
PNG
(CHEMBL5184027)
Show SMILES Cc1cc2nc(oc2cc1C)-c1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610147
PNG
(CHEMBL5289955)
Show SMILES Clc1cc(cc(C(=O)Nc2ccccc2)c1Cl)C(=O)NCc1ccccc1
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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591463
PNG
(CHEMBL5199152)
Show SMILES CCc1ccc(cc1)-c1nc2ccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)cc2n1C
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591478
PNG
(CHEMBL5206276)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3F)[N+]([O-])=O)ccc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610163
PNG
(CHEMBL5267263)
Show SMILES Cc1cc(OC(F)F)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(F)cc1Cl
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n/an/a 4.20n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591464
PNG
(CHEMBL5183657)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2n1C
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n/an/a 4.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50266373
PNG
(2-chloro-5-nitro-N-(pyridin-4-yl)benzamide | CHEMB...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
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n/an/a 4.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610165
PNG
(CHEMBL5273393)
Show SMILES Cc1cc(ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl)-c1nnco1
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n/an/a 4.80n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610166
PNG
(CHEMBL5282503)
Show SMILES Cc1cc(cnc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl)C1COC1
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n/an/a 5n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610163
PNG
(CHEMBL5267263)
Show SMILES Cc1cc(OC(F)F)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(F)cc1Cl
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n/an/a 6.10n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591479
PNG
(CHEMBL5187164)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
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n/an/a 6.30n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610161
PNG
(CHEMBL5281842)
Show SMILES Cc1cccc(c1)-c1nc2cc(NC(=O)c3cc(C(=O)NCc4ccc(F)c(F)c4)c(F)cc3Cl)ccc2o1
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n/an/a 6.60n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610152
PNG
(CHEMBL5268912)
Show SMILES COCCOCc1cc(F)ccc1CNC(=O)c1cc(C(=O)Nc2ccc(cc2C)C(F)(F)F)c(Cl)cc1F
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n/an/a 7.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610167
PNG
(CHEMBL5271038)
Show SMILES Cc1cc(cnc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl)N1CCOCC1
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591473
PNG
(CHEMBL5173312)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)C#N)ccc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50610163
PNG
(CHEMBL5267263)
Show SMILES Cc1cc(OC(F)F)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)c(F)cc1Cl
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Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM161150
PNG
(US9051265, 58 | US9051265, 98)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(Cl)c(O[C@@H](C)C(O)=O)c3)c(C)c(C)c2c1)c1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1
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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610167
PNG
(CHEMBL5271038)
Show SMILES Cc1cc(cnc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl)N1CCOCC1
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n/an/a 14n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610164
PNG
(CHEMBL5272194)
Show SMILES Cc1cc(OCCO)ccc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl
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n/an/a 14n/an/an/an/an/an/a


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Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610162
PNG
(CHEMBL5286386)
Show SMILES CC(C)(O)c1ccc(NC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)c(F)cc2Cl)cc1
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More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50610167
PNG
(CHEMBL5271038)
Show SMILES Cc1cc(cnc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl)N1CCOCC1
PDB
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Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50591479
PNG
(CHEMBL5187164)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610162
PNG
(CHEMBL5286386)
Show SMILES CC(C)(O)c1ccc(NC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)c(F)cc2Cl)cc1
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More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610159
PNG
(CHEMBL5285688)
Show SMILES Cc1ccccc1NC(=O)c1cc(C(=O)NCc2ccccc2)c(F)cc1Cl
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591457
PNG
(CHEMBL5174641)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(Cl)c1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610158
PNG
(CHEMBL5291018)
Show SMILES Fc1ccc(CNC(=O)c2cc(C(=O)Nc3ccccn3)c(Cl)cc2F)cc1F
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50610162
PNG
(CHEMBL5286386)
Show SMILES CC(C)(O)c1ccc(NC(=O)c2cc(C(=O)NCc3ccc(F)c(F)c3)c(F)cc2Cl)cc1
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610160
PNG
(CHEMBL5277957)
Show SMILES Cc1cccnc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl
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More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610148
PNG
(CHEMBL5287868)
Show SMILES Fc1cc(Cl)c(cc1C(=O)NCc1ccccc1)C(=O)Nc1ccccc1
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50591456
PNG
(CHEMBL5207130)
Show SMILES CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610145
PNG
(CHEMBL5283176)
Show SMILES Brc1ccc(cc1C(=O)Nc1ccccc1)C(=O)NCc1ccccc1
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591455
PNG
(CHEMBL5201306)
Show SMILES Cc1ccccc1-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591458
PNG
(CHEMBL2324298)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1Br
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM161150
PNG
(US9051265, 58 | US9051265, 98)
Show SMILES C[C@H](NC(=O)c1ccc2n(Cc3ccc(Cl)c(O[C@@H](C)C(O)=O)c3)c(C)c(C)c2c1)c1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C33H37ClN2O4/c1-19-21(3)36(18-23-8-14-28(34)30(16-23)40-22(4)32(38)39)29-15-11-25(17-27(19)29)31(37)35-20(2)24-9-12-26(13-10-24)33(5,6)7/h8-17,20,22H,18H2,1-7H3,(H,35,37)(H,38,39)/t20-,22-/m0/s1
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n/an/a 935n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610154
PNG
(CHEMBL5288593)
Show SMILES Cc1ccccc1CNC(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1
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n/an/a 1.04E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610143
PNG
(CHEMBL5278668)
Show SMILES Clc1ccc(cc1C(=O)Nc1ccccc1)C(=O)NCc1ccccc1
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n/an/a 1.12E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591454
PNG
(CHEMBL5186962)
Show SMILES Cc1cccc(c1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50591462
PNG
(CHEMBL5182665)
Show SMILES Cc1ccc(cc1)-c1nc2ccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)cc2o1
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01379
BindingDB Entry DOI: 10.7270/Q2W099XX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50610151
PNG
(CHEMBL5282181)
Show SMILES COc1ccccc1CNC(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1
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n/an/a 2.20E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50266373
PNG
(2-chloro-5-nitro-N-(pyridin-4-yl)benzamide | CHEMB...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
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n/an/a 2.95E+3n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
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