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6 similar compounds to monomer 50085043

Compile data set for download or QSAR
Wt: 374.8
BDBM50287727
Wt: 432.4
BDBM50287729
Wt: 354.3
BDBM50287731
Wt: 370.3
BDBM50287732
Wt: 354.3
BDBM50287734
Wt: 438.3
BDBM50362950

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50287727,50287729,50287731,50287732,50287734,50362950   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287729
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CN(CCOc1ccc(CC(Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C25H24N2O5/c1-27(25-26-21-9-5-6-10-22(21)32-25)15-16-30-19-13-11-18(12-14-19)17-23(24(28)29)31-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3,(H,28,29)
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Article
0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287732
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES COC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C20H22N2O5/c1-22(20-21-16-5-3-4-6-17(16)27-20)11-12-26-15-9-7-14(8-10-15)13-18(25-2)19(23)24/h3-10,18H,11-13H2,1-2H3,(H,23,24)
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Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287727
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CN(CCOc1ccc(CC(Cl)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H19ClN2O4/c1-22(19-21-16-4-2-3-5-17(16)26-19)10-11-25-14-8-6-13(7-9-14)12-15(20)18(23)24/h2-9,15H,10-12H2,1H3,(H,23,24)
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Article
33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287734
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C20H22N2O4/c1-14(19(23)24)13-15-7-9-16(10-8-15)25-12-11-22(2)20-21-17-5-3-4-6-18(17)26-20/h3-10,14H,11-13H2,1-2H3,(H,23,24)
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Article
1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2127-2130 (1996)


Article DOI: 10.1016/0960-894X(96)00382-4
BindingDB Entry DOI: 10.7270/Q2J1034Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50287731
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES COC(=O)CCc1ccc(OCCN(C)c2nc3ccccc3o2)cc1
Show InChI InChI=1S/C20H22N2O4/c1-22(20-21-17-5-3-4-6-18(17)26-20)13-14-25-16-10-7-15(8-11-16)9-12-19(23)24-2/h3-8,10-11H,9,12-14H2,1-2H3
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Article
6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
inhibition of [125I]-SB 236636 binding to human PPAR gamma receptor


Bioorg Med Chem Lett 6: 2121-2126 (1996)


Article DOI: 10.1016/0960-894X(96)00383-6
BindingDB Entry DOI: 10.7270/Q2NS0TW1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50362950
PNG
(CHEMBL1946409)
Show SMILES CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1
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PubMed
n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PGC1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50362950
PNG
(CHEMBL1946409)
Show SMILES CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1
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PubMed
n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of Src-1 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50362950
PNG
(CHEMBL1946409)
Show SMILES CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1
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PubMed
n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of PBP by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50362950
PNG
(CHEMBL1946409)
Show SMILES CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C21H21F3N2O5/c1-26(20-25-16-4-2-3-5-17(16)31-20)10-11-29-15-8-6-14(7-9-15)12-18(19(27)28)30-13-21(22,23)24/h2-9,18H,10-13H2,1H3,(H,27,28)/t18-/m0/s1
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PubMed
n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human PPARgamma LBD assessed as activation of CBP1-453 by HTRF assay


J Med Chem 54: 8541-54 (2011)


Article DOI: 10.1021/jm201061j
BindingDB Entry DOI: 10.7270/Q2542P11
More data for this
Ligand-Target Pair