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Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'gonzalez' and Initial = 'i'   
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 delta


(Homo sapiens (Human))
BDBM50199773
PNG
(3-(4-((R)-3-(4-chloro-2-(pyridin-2-yl)phenoxy)buto...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1-c1ccccn1
Show InChI InChI=1S/C25H26ClNO4/c1-17-15-21(9-6-19(17)7-11-25(28)29)30-14-12-18(2)31-24-10-8-20(26)16-22(24)23-5-3-4-13-27-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,28,29)/t18-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Interleukin-23 receptor


(Homo sapiens)
BDBM50459752
PNG
(CHEMBL4206167)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)N[C@@H](Cc1ccc(OCCN)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@](C)(CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O)NC(C)=O |r|
Show InChI InChI=1S/C74H102N20O20S/c1-38(95)62-72(112)90-53(31-41-34-81-46-12-6-4-10-44(41)46)69(109)86-48(18-21-57(77)97)64(104)91-56(37-115-29-24-51(84-39(2)96)66(106)85-49(67(107)93-62)19-22-58(78)98)70(110)87-52(30-40-14-16-43(17-15-40)114-28-27-76)68(108)88-54(32-42-35-82-47-13-7-5-11-45(42)47)71(111)94-74(3,25-8-9-26-75)73(113)92-50(20-23-61(101)102)65(105)89-55(33-59(79)99)63(103)83-36-60(80)100/h4-7,10-17,34-35,38,48-56,62,81-82,95H,8-9,18-33,36-37,75-76H2,1-3H3,(H2,77,97)(H2,78,98)(H2,79,99)(H2,80,100)(H,83,103)(H,84,96)(H,85,106)(H,86,109)(H,87,110)(H,88,108)(H,89,105)(H,90,112)(H,91,104)(H,92,113)(H,93,107)(H,94,111)(H,101,102)/t38-,48+,49+,50+,51+,52+,53+,54+,55+,56+,62+,74+/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



Centro de Investigaci£n Lilly S.A.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human flag/His-tagged IL-23R (1 to 353 residues) expressed in HEK293F cells assessed as disruption of biotinylated IL...


ACS Med Chem Lett 9: 912-916 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00255
BindingDB Entry DOI: 10.7270/Q25B054G
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199776
PNG
(3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)pheno...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(CC)c2)c(c1)-c1ccccn1
Show InChI InChI=1S/C28H33NO4/c1-4-21-9-13-27(25(18-21)26-8-6-7-16-29-26)33-20(3)15-17-32-24-12-10-23(11-14-28(30)31)22(5-2)19-24/h6-10,12-13,16,18-20H,4-5,11,14-15,17H2,1-3H3,(H,30,31)/t20-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199779
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccn1
Show InChI InChI=1S/C27H31NO4/c1-4-21-8-12-26(24(18-21)25-7-5-6-15-28-25)32-20(3)14-16-31-23-11-9-22(19(2)17-23)10-13-27(29)30/h5-9,11-12,15,17-18,20H,4,10,13-14,16H2,1-3H3,(H,29,30)/t20-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199778
PNG
(3-(4-((R)-3-(4-ethyl-2-(thiazol-4-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cscn1
Show InChI InChI=1S/C25H29NO4S/c1-4-19-5-9-24(22(14-19)23-15-31-16-26-23)30-18(3)11-12-29-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199781
PNG
(3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoro...)
Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(cc2-c2ccccn2)C(F)(F)F)ccc1CCC(O)=O
Show InChI InChI=1S/C27H28F3NO4/c1-3-19-16-22(10-7-20(19)8-12-26(32)33)34-15-13-18(2)35-25-11-9-21(27(28,29)30)17-23(25)24-6-4-5-14-31-24/h4-7,9-11,14,16-18H,3,8,12-13,15H2,1-2H3,(H,32,33)/t18-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194631
PNG
((R)-3-{4-[3-(4-ethyl-2-phenoxy-phenoxy)-butoxy]-2-...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C28H32O5/c1-4-22-10-14-26(27(19-22)33-24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194637
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(F)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C25H24ClFO5/c1-17(13-14-30-21-10-7-18(22(27)16-21)8-12-25(28)29)31-23-11-9-19(26)15-24(23)32-20-5-3-2-4-6-20/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,28,29)/t17-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199777
PNG
(3-(2-methyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluor...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1-c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C26H26F3NO4/c1-17-15-21(9-6-19(17)7-11-25(31)32)33-14-12-18(2)34-24-10-8-20(26(27,28)29)16-22(24)23-5-3-4-13-30-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,31,32)/t18-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194630
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H29ClO5/c1-3-20-17-24(12-9-21(20)10-14-27(29)30)31-16-15-19(2)32-25-13-11-22(28)18-26(25)33-23-7-5-4-6-8-23/h4-9,11-13,17-19H,3,10,14-16H2,1-2H3,(H,29,30)/t19-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199785
PNG
((R)-3-(4-(3-(4-ethyl-2-(pyridin-4-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccncc1
Show InChI InChI=1S/C27H31NO4/c1-4-21-5-9-26(25(18-21)23-11-14-28-15-12-23)32-20(3)13-16-31-24-8-6-22(19(2)17-24)7-10-27(29)30/h5-6,8-9,11-12,14-15,17-18,20H,4,7,10,13,16H2,1-3H3,(H,29,30)/t20-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199783
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccnc1
Show InChI InChI=1S/C27H31NO4/c1-4-21-7-11-26(25(17-21)23-6-5-14-28-18-23)32-20(3)13-15-31-24-10-8-22(19(2)16-24)9-12-27(29)30/h5-8,10-11,14,16-18,20H,4,9,12-13,15H2,1-3H3,(H,29,30)/t20-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194628
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethyl-...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1Oc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3O5/c1-18-16-23(11-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-10-21(27(28,29)30)17-25(24)35-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194629
PNG
(2-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-phenox...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O6/c1-5-21-11-16-26(25(19-21)27(30)22-9-7-6-8-10-22)34-20(2)17-18-33-23-12-14-24(15-13-23)35-29(3,4)28(31)32/h6-16,19-20H,5,17-18H2,1-4H3,(H,31,32)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199774
PNG
(3-{4-[(R)-3-(5-ethyl-biphenyl-2-yloxy)-butoxy]-2-m...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C28H32O4/c1-4-22-10-14-27(26(19-22)24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194633
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(c1)C(F)(F)F)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H24ClF3O5/c1-17(34-23-11-9-19(27)15-24(23)35-20-5-3-2-4-6-20)13-14-33-21-10-7-18(8-12-25(31)32)22(16-21)26(28,29)30/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,31,32)/t17-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199782
PNG
(3-(4-((R)-3-(4-ethyl-2-(oxazol-2-yl)phenoxy)butoxy...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ncco1
Show InChI InChI=1S/C25H29NO5/c1-4-19-5-9-23(22(16-19)25-26-12-14-30-25)31-18(3)11-13-29-21-8-6-20(17(2)15-21)7-10-24(27)28/h5-6,8-9,12,14-16,18H,4,7,10-11,13H2,1-3H3,(H,27,28)/t18-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Interleukin-23 receptor


(Homo sapiens)
BDBM50459752
PNG
(CHEMBL4206167)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(=O)N[C@@H](Cc1ccc(OCCN)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@](C)(CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O)NC(C)=O |r|
Show InChI InChI=1S/C74H102N20O20S/c1-38(95)62-72(112)90-53(31-41-34-81-46-12-6-4-10-44(41)46)69(109)86-48(18-21-57(77)97)64(104)91-56(37-115-29-24-51(84-39(2)96)66(106)85-49(67(107)93-62)19-22-58(78)98)70(110)87-52(30-40-14-16-43(17-15-40)114-28-27-76)68(108)88-54(32-42-35-82-47-13-7-5-11-45(42)47)71(111)94-74(3,25-8-9-26-75)73(113)92-50(20-23-61(101)102)65(105)89-55(33-59(79)99)63(103)83-36-60(80)100/h4-7,10-17,34-35,38,48-56,62,81-82,95H,8-9,18-33,36-37,75-76H2,1-3H3,(H2,77,97)(H2,78,98)(H2,79,99)(H2,80,100)(H,83,103)(H,84,96)(H,85,106)(H,86,109)(H,87,110)(H,88,108)(H,89,105)(H,90,112)(H,91,104)(H,92,113)(H,93,107)(H,94,111)(H,101,102)/t38-,48+,49+,50+,51+,52+,53+,54+,55+,56+,62+,74+/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Centro de Investigaci£n Lilly S.A.

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human flag/His-tagged IL-23R (1 to 353 residues) expressed in HEK293F cells assessed as disruption of biotinylated IL...


ACS Med Chem Lett 9: 912-916 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00255
BindingDB Entry DOI: 10.7270/Q25B054G
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 1


(Homo sapiens (Human))
BDBM50535848
PNG
(CHEMBL4584997)
Show SMILES CCCCCCC(=O)c1cc(-c2ccc(CC(O)=O)cc2)c2nccn2c1
Show InChI InChI=1S/C22H24N2O3/c1-2-3-4-5-6-20(25)18-14-19(22-23-11-12-24(22)15-18)17-9-7-16(8-10-17)13-21(26)27/h7-12,14-15H,2-6,13H2,1H3,(H,26,27)
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n/an/a 5.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human SPT1 expressed in microsomes of HEK293 cells incubated for 1hr by LC/MS analysis


J Med Chem 59: 5904-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01851
BindingDB Entry DOI: 10.7270/Q29K4FR1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194629
PNG
(2-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-phenox...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O6/c1-5-21-11-16-26(25(19-21)27(30)22-9-7-6-8-10-22)34-20(2)17-18-33-23-12-14-24(15-13-23)35-29(3,4)28(31)32/h6-16,19-20H,5,17-18H2,1-4H3,(H,31,32)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194638
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-pentyloxy]-2-m...)
Show SMILES CCC(CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C30H34O5/c1-4-22-11-15-28(27(20-22)30(33)24-9-7-6-8-10-24)35-25(5-2)17-18-34-26-14-12-23(21(3)19-26)13-16-29(31)32/h6-12,14-15,19-20,25H,4-5,13,16-18H2,1-3H3,(H,31,32)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194626
PNG
(2-(4-(3-(2-benzoyl-4-ethylphenoxy)propoxy)phenoxy)...)
Show SMILES CCc1ccc(OCCCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C28H30O6/c1-4-20-11-16-25(24(19-20)26(29)21-9-6-5-7-10-21)33-18-8-17-32-22-12-14-23(15-13-22)34-28(2,3)27(30)31/h5-7,9-16,19H,4,8,17-18H2,1-3H3,(H,30,31)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194628
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethyl-...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1Oc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3O5/c1-18-16-23(11-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-10-21(27(28,29)30)17-25(24)35-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194631
PNG
((R)-3-{4-[3-(4-ethyl-2-phenoxy-phenoxy)-butoxy]-2-...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Oc2ccccc2)c1
Show InChI InChI=1S/C28H32O5/c1-4-22-10-14-26(27(19-22)33-24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194625
PNG
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1
Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194634
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-2-meth...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199772
PNG
(3-(4-((R)-3-(4-ethyl-2-(thiophen-3-yl)phenoxy)buto...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccsc1
Show InChI InChI=1S/C26H30O4S/c1-4-20-5-9-25(24(16-20)22-12-14-31-17-22)30-19(3)11-13-29-23-8-6-21(18(2)15-23)7-10-26(27)28/h5-6,8-9,12,14-17,19H,4,7,10-11,13H2,1-3H3,(H,27,28)/t19-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194624
PNG
(3-{4-[3-(2-benzyl-4-ethyl-phenoxy)-butoxy]-2-methy...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C29H34O4/c1-4-23-10-14-28(26(19-23)20-24-8-6-5-7-9-24)33-22(3)16-17-32-27-13-11-25(21(2)18-27)12-15-29(30)31/h5-11,13-14,18-19,22H,4,12,15-17,20H2,1-3H3,(H,30,31)
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n/an/a 8n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199775
PNG
(3-(4-((R)-3-(4-ethyl-2-(thiophen-2-yl)phenoxy)buto...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccs1
Show InChI InChI=1S/C26H30O4S/c1-4-20-7-11-24(23(17-20)25-6-5-15-31-25)30-19(3)13-14-29-22-10-8-21(18(2)16-22)9-12-26(27)28/h5-8,10-11,15-17,19H,4,9,12-14H2,1-3H3,(H,27,28)/t19-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50194632
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-hexyloxy]-2-me...)
Show SMILES CCCC(CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C31H36O5/c1-4-9-26(18-19-35-27-15-13-24(22(3)20-27)14-17-30(32)33)36-29-16-12-23(5-2)21-28(29)31(34)25-10-7-6-8-11-25/h6-8,10-13,15-16,20-21,26H,4-5,9,14,17-19H2,1-3H3,(H,32,33)
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n/an/a 9n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199771
PNG
(3-(4-((R)-3-(4-ethyl-2-(thiazol-2-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1nccs1
Show InChI InChI=1S/C25H29NO4S/c1-4-19-5-9-23(22(16-19)25-26-12-14-31-25)30-18(3)11-13-29-21-8-6-20(17(2)15-21)7-10-24(27)28/h5-6,8-9,12,14-16,18H,4,7,10-11,13H2,1-3H3,(H,27,28)/t18-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194634
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-butoxy]-2-meth...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)
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n/an/a 12n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199784
PNG
(3-(4-((R)-3-(4-ethyl-2-(oxazol-4-yl)phenoxy)butoxy...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cocn1
Show InChI InChI=1S/C25H29NO5/c1-4-19-5-9-24(22(14-19)23-15-29-16-26-23)31-18(3)11-12-30-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50199780
PNG
(3-(4-((R)-3-(4-ethyl-2-(furan-2-yl)phenoxy)butoxy)...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccco1
Show InChI InChI=1S/C26H30O5/c1-4-20-7-11-25(23(17-20)24-6-5-14-30-24)31-19(3)13-15-29-22-10-8-21(18(2)16-22)9-12-26(27)28/h5-8,10-11,14,16-17,19H,4,9,12-13,15H2,1-3H3,(H,27,28)/t19-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194635
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50199781
PNG
(3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoro...)
Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(cc2-c2ccccn2)C(F)(F)F)ccc1CCC(O)=O
Show InChI InChI=1S/C27H28F3NO4/c1-3-19-16-22(10-7-20(19)8-12-26(32)33)34-15-13-18(2)35-25-11-9-21(27(28,29)30)17-23(25)24-6-4-5-14-31-24/h4-7,9-11,14,16-18H,3,8,12-13,15H2,1-2H3,(H,32,33)/t18-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194638
PNG
(3-{4-[3-(2-benzoyl-4-ethyl-phenoxy)-pentyloxy]-2-m...)
Show SMILES CCC(CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(CC)cc1C(=O)c1ccccc1
Show InChI InChI=1S/C30H34O5/c1-4-22-11-15-28(27(20-22)30(33)24-9-7-6-8-10-24)35-25(5-2)17-18-34-26-14-12-23(21(3)19-26)13-16-29(31)32/h6-12,14-15,19-20,25H,4-5,13,16-18H2,1-3H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194630
PNG
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)
Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H29ClO5/c1-3-20-17-24(12-9-21(20)10-14-27(29)30)31-16-15-19(2)32-25-13-11-22(28)18-26(25)33-23-7-5-4-6-8-23/h4-9,11-13,17-19H,3,10,14-16H2,1-2H3,(H,29,30)/t19-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50199777
PNG
(3-(2-methyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluor...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1-c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C26H26F3NO4/c1-17-15-21(9-6-19(17)7-11-25(31)32)33-14-12-18(2)34-24-10-8-20(26(27,28)29)16-22(24)23-5-3-4-13-30-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,31,32)/t18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50199776
PNG
(3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)pheno...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(CC)c2)c(c1)-c1ccccn1
Show InChI InChI=1S/C28H33NO4/c1-4-21-9-13-27(25(18-21)26-8-6-7-16-29-26)33-20(3)15-17-32-24-12-10-23(11-14-28(30)31)22(5-2)19-24/h6-10,12-13,16,18-20H,4-5,11,14-15,17H2,1-3H3,(H,30,31)/t20-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194626
PNG
(2-(4-(3-(2-benzoyl-4-ethylphenoxy)propoxy)phenoxy)...)
Show SMILES CCc1ccc(OCCCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C28H30O6/c1-4-20-11-16-25(24(19-20)26(29)21-9-6-5-7-10-21)33-18-8-17-32-22-12-14-23(15-13-22)34-28(2,3)27(30)31/h5-7,9-16,19H,4,8,17-18H2,1-3H3,(H,30,31)
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n/an/a 38n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50199779
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccn1
Show InChI InChI=1S/C27H31NO4/c1-4-21-8-12-26(24(18-21)25-7-5-6-15-28-25)32-20(3)14-16-31-23-11-9-22(19(2)17-23)10-13-27(29)30/h5-9,11-12,15,17-18,20H,4,10,13-14,16H2,1-3H3,(H,29,30)/t20-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50194624
PNG
(3-{4-[3-(2-benzyl-4-ethyl-phenoxy)-butoxy]-2-methy...)
Show SMILES CCc1ccc(OC(C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Cc2ccccc2)c1
Show InChI InChI=1S/C29H34O4/c1-4-23-10-14-28(26(19-23)20-24-8-6-5-7-9-24)33-22(3)16-17-32-27-13-11-25(21(2)18-27)12-15-29(30)31/h5-11,13-14,18-19,22H,4,12,15-17,20H2,1-3H3,(H,30,31)
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n/an/a 59n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA


J Med Chem 49: 5649-52 (2006)


Article DOI: 10.1021/jm060617c
BindingDB Entry DOI: 10.7270/Q2K073WF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50199783
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cccnc1
Show InChI InChI=1S/C27H31NO4/c1-4-21-7-11-26(25(17-21)23-6-5-14-28-18-23)32-20(3)13-15-31-24-10-8-22(19(2)16-24)9-12-27(29)30/h5-8,10-11,14,16-18,20H,4,9,12-13,15H2,1-3H3,(H,29,30)/t20-/m1/s1
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma


Bioorg Med Chem Lett 17: 1052-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.029
BindingDB Entry DOI: 10.7270/Q2BP02F8
More data for this
Ligand-Target Pair
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