Found 30 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166292
((S)-2-{3-[1-(4-Methoxy-phenyl)-2-methyl-5-trifluor...)Show SMILES COc1ccc(cc1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C27H24F3NO5/c1-16-23(14-18-5-4-6-21(13-18)35-17(2)26(32)33)24-15-22(36-27(28,29)30)11-12-25(24)31(16)19-7-9-20(34-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,32,33)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166300
((S)-2-{2-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-...)Show SMILES C[C@H](Oc1cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)ccc1Cl)C(O)=O |wU:1.0,(11.52,1.27,;11.04,-.19,;9.55,-.52,;8.51,.64,;7.01,.32,;5.98,1.43,;4.48,1.11,;4,-.36,;4.91,-1.61,;6.44,-1.61,;4,-2.84,;4.41,-4.33,;3.45,-5.51,;4.3,-6.81,;5.77,-6.42,;7.06,-7.25,;8.43,-6.56,;9.72,-7.37,;8.5,-5,;7.22,-4.17,;5.86,-4.89,;2.54,-2.38,;1.22,-3.14,;-.13,-2.38,;-.13,-.84,;-1.48,-.05,;-2.8,-.84,;-4.15,-1.63,;-3.59,.5,;-2.01,-2.17,;1.22,-.05,;2.54,-.82,;6.46,2.92,;7.95,3.24,;9,2.11,;10.5,2.41,;12.09,-1.33,;11.6,-2.79,;13.6,-1.01,)| Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-15-4-7-19(28)22(11-15)36-13(2)25(34)35)18-10-16(38-26(29,30)31)5-8-20(18)33(12)24-17-6-3-14(27)9-21(17)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166295
((R)-2-{4-Chloro-3-[1-(6-methoxy-benzo[d]isoxazol-3...)Show SMILES COc1ccc2c(noc2c1)-n1c(C)c(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c2cc(OC(F)(F)F)ccc12 |wD:20.22,(29.61,-7.83,;29.61,-6.29,;28.28,-5.52,;28.28,-3.99,;26.95,-3.22,;25.63,-3.99,;24.17,-3.51,;23.28,-4.76,;24.18,-5.99,;25.63,-5.52,;26.95,-6.28,;23.7,-2.06,;24.59,-.82,;26.14,-.82,;23.7,.43,;24.17,1.91,;25.67,2.23,;26.71,1.11,;28.2,1.44,;29.24,.28,;30.75,.6,;31.22,2.06,;31.78,-.54,;31.31,-2.01,;33.29,-.22,;28.68,2.9,;27.65,4.04,;26.15,3.72,;25.11,4.84,;22.23,-.03,;20.89,.74,;19.55,-.05,;18.2,.74,;16.86,-.05,;17.65,-1.38,;15.53,-.84,;16.08,1.3,;19.55,-1.58,;20.89,-2.36,;22.23,-1.58,)| Show InChI InChI=1S/C28H22ClF3N2O6/c1-14-21(11-16-10-18(5-8-23(16)29)38-15(2)27(35)36)22-12-19(39-28(30,31)32)6-9-24(22)34(14)26-20-7-4-17(37-3)13-25(20)40-33-26/h4-10,12-13,15H,11H2,1-3H3,(H,35,36)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157917
((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166298
((2S)-2-(4-chloro-3-(1-(6-chlorobenzo[d]isoxazol-3-...)Show SMILES C[C@H](Oc1ccc(Cl)c(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r,wU:1.0,(28.69,2.15,;28.21,.68,;26.71,.36,;25.68,1.51,;26.15,2.97,;25.11,4.12,;23.61,3.79,;22.58,4.93,;23.14,2.33,;21.64,2.01,;21.16,.55,;22.08,-.71,;23.62,-.71,;21.17,-1.96,;21.64,-3.43,;20.75,-4.67,;21.65,-5.92,;23.11,-5.44,;24.44,-6.21,;25.77,-5.44,;27.1,-6.21,;25.76,-3.9,;24.44,-3.14,;23.11,-3.9,;19.69,-1.48,;18.35,-2.26,;17.02,-1.48,;17.02,.06,;15.69,.83,;15.69,2.37,;15.67,3.91,;17.23,2.38,;14.15,2.36,;18.35,.83,;19.69,.07,;24.17,1.18,;29.24,-.46,;30.75,-.14,;28.77,-1.93,)| Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-22-11-15(4-7-19(22)28)36-13(2)25(34)35)18-10-16(38-26(29,30)31)5-8-20(18)33(12)24-17-6-3-14(27)9-21(17)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166302
((S)-2-{5-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)Show SMILES CCCc1ccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)cc1O[C@@H](C)C(O)=O |wU:36.41,(13.07,5.11,;11.56,4.8,;11.09,3.32,;9.59,3.02,;8.54,4.16,;7.04,3.84,;6.56,2.36,;5.07,2.04,;4.59,.56,;5.49,-.7,;7.03,-.7,;4.59,-1.93,;5,-3.42,;4.03,-4.6,;4.88,-5.91,;6.35,-5.49,;7.65,-6.33,;9.02,-5.63,;10.31,-6.46,;9.09,-4.09,;7.81,-3.25,;6.45,-3.96,;3.12,-1.45,;1.8,-2.23,;.45,-1.45,;.45,.09,;-.9,.86,;-2.22,.09,;-3.57,-.71,;-3.01,1.42,;-1.43,-1.26,;1.8,.86,;3.12,.09,;7.6,1.23,;9.1,1.56,;10.14,.41,;11.63,.72,;12.11,2.19,;12.68,-.4,;12.19,-1.88,;14.19,-.09,)| Show InChI InChI=1S/C29H24ClF3N2O6/c1-4-5-17-6-8-19(14-24(17)38-16(3)28(36)37)39-26-15(2)35(27-21-10-7-18(30)12-25(21)41-34-27)23-11-9-20(13-22(23)26)40-29(31,32)33/h6-14,16H,4-5H2,1-3H3,(H,36,37)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166296
((S)-2-{3-[1-(6-Methoxy-quinolin-3-yl)-2-methyl-5-t...)Show SMILES COc1ccc2ncc(cc2c1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C30H25F3N2O5/c1-17-25(12-19-5-4-6-23(11-19)39-18(2)29(36)37)26-15-24(40-30(31,32)33)8-10-28(26)35(17)21-13-20-14-22(38-3)7-9-27(20)34-16-21/h4-11,13-16,18H,12H2,1-3H3,(H,36,37)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166293
((S)-2-{3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)Show SMILES C[C@H](Oc1cccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |wU:1.0,(13.85,3.3,;13.37,1.84,;11.87,1.53,;10.83,2.67,;11.32,4.14,;10.28,5.27,;8.78,4.95,;8.3,3.48,;6.81,3.15,;6.33,1.67,;7.23,.42,;8.77,.42,;6.33,-.81,;6.74,-2.3,;5.77,-3.48,;6.62,-4.79,;8.09,-4.38,;9.39,-5.21,;10.76,-4.51,;12.04,-5.34,;10.83,-2.97,;9.55,-2.14,;8.19,-2.84,;4.86,-.33,;3.54,-1.12,;2.19,-.33,;2.19,1.2,;.84,1.97,;-.48,1.2,;-1.27,2.53,;.31,-.14,;-1.83,.41,;3.54,1.97,;4.86,1.21,;9.34,2.35,;14.41,.7,;13.92,-.77,;15.92,1.02,)| Show InChI InChI=1S/C26H18ClF3N2O6/c1-13-23(36-17-5-3-4-16(11-17)35-14(2)25(33)34)20-12-18(37-26(28,29)30)7-9-21(20)32(13)24-19-8-6-15(27)10-22(19)38-31-24/h3-12,14H,1-2H3,(H,33,34)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166303
(CHEMBL191087 | {3-[1-(4-Methoxy-benzoyl)-2-methyl-...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OCC#N)c2)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C27H21F3N2O4/c1-17-23(15-18-4-3-5-21(14-18)35-13-12-31)24-16-22(36-27(28,29)30)10-11-25(24)32(17)26(33)19-6-8-20(34-2)9-7-19/h3-11,14,16H,13,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50166305
((S)-2-[3-(2-Methyl-5-trifluoromethoxy-1H-indol-3-y...)Show SMILES C[C@H](Oc1cccc(Cc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)c1)C(O)=O Show InChI InChI=1S/C20H18F3NO4/c1-11-16(9-13-4-3-5-14(8-13)27-12(2)19(25)26)17-10-15(28-20(21,22)23)6-7-18(17)24-11/h3-8,10,12,24H,9H2,1-2H3,(H,25,26)/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Cytochrome P450 2C9 in rats |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166301
((4-Methoxy-phenyl)-[2-methyl-3-(3-prop-2-ynyloxy-b...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OCC#C)c2)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C28H22F3NO4/c1-4-14-35-22-7-5-6-19(15-22)16-24-18(2)32(27(33)20-8-10-21(34-3)11-9-20)26-13-12-23(17-25(24)26)36-28(29,30)31/h1,5-13,15,17H,14,16H2,2-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166294
((S)-2-{3-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-...)Show SMILES C[C@H](Oc1cc(Cl)cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |wU:1.0,(9.04,3.41,;8.56,1.95,;7.06,1.63,;6.03,2.78,;6.51,4.25,;5.47,5.39,;5.94,6.86,;3.96,5.06,;3.49,3.58,;1.99,3.26,;1.51,1.78,;2.42,.53,;3.96,.53,;1.51,-.71,;1.92,-2.19,;.95,-3.38,;1.8,-4.68,;3.28,-4.28,;4.57,-5.12,;5.94,-4.42,;7.24,-5.24,;6.01,-2.87,;4.73,-2.03,;3.37,-2.75,;.05,-.23,;-1.28,-1.01,;-2.63,-.23,;-2.63,1.3,;-3.98,2.09,;-5.3,1.3,;-6.65,.51,;-6.1,2.64,;-4.51,-.03,;-1.28,2.09,;.05,1.32,;4.52,2.46,;9.61,.81,;9.12,-.66,;11.12,1.13,)| Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-18-8-15(28)7-17(10-18)36-13(2)25(34)35)20-11-16(38-26(29,30)31)4-6-21(20)33(12)24-19-5-3-14(27)9-22(19)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166297
((S)-2-{3-[1-(6-Methoxy-quinolin-2-yl)-2-methyl-5-t...)Show SMILES COc1ccc2nc(ccc2c1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C30H25F3N2O5/c1-17-24(14-19-5-4-6-22(13-19)39-18(2)29(36)37)25-16-23(40-30(31,32)33)9-11-27(25)35(17)28-12-7-20-15-21(38-3)8-10-26(20)34-28/h4-13,15-16,18H,14H2,1-3H3,(H,36,37)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)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/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166299
((S)-2-[3-(2-Methyl-1-pyridin-2-yl-5-trifluorometho...)Show SMILES C[C@H](Oc1cccc(Cc2c(C)n(-c3ccccn3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O Show InChI InChI=1S/C25H21F3N2O4/c1-15-20(13-17-6-5-7-18(12-17)33-16(2)24(31)32)21-14-19(34-25(26,27)28)9-10-22(21)30(15)23-8-3-4-11-29-23/h3-12,14,16H,13H2,1-2H3,(H,31,32)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 466 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166304
((S)-2-{3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)Show SMILES CCCc1c(O[C@@H](C)C(O)=O)cccc1Oc1c(C)n(-c2noc3cc(Cl)ccc23)c2ccc(OC(F)(F)F)cc12 |wU:6.6,(9.21,.42,;7.71,.09,;6.68,1.23,;7.14,2.7,;8.64,3.02,;9.68,1.88,;11.18,2.19,;11.66,3.65,;12.22,1.05,;11.73,-.4,;13.74,1.37,;9.13,4.49,;8.08,5.63,;6.58,5.3,;6.1,3.83,;4.61,3.51,;4.13,2.02,;5.03,.77,;6.57,.77,;4.13,-.47,;4.54,-1.95,;3.57,-3.14,;4.42,-4.44,;5.89,-4.03,;7.19,-4.87,;8.56,-4.17,;9.85,-5,;8.63,-2.63,;7.35,-1.79,;5.99,-2.5,;2.66,.02,;1.33,-.77,;-.02,.02,;-.02,1.55,;-1.36,2.33,;-2.69,1.55,;-4.04,.76,;-3.48,2.89,;-1.9,.21,;1.33,2.33,;2.66,1.56,)| Show InChI InChI=1S/C29H24ClF3N2O6/c1-4-6-19-23(38-16(3)28(36)37)7-5-8-24(19)39-26-15(2)35(27-20-11-9-17(30)13-25(20)41-34-27)22-12-10-18(14-21(22)26)40-29(31,32)33/h5,7-14,16H,4,6H2,1-3H3,(H,36,37)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 641 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166291
(3-Methyl-5-{4-[2-(methyl-pyridin-2-yl-amino)-ethox...)Show InChI InChI=1S/C19H21N3O3S/c1-21(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)22(2)19(24)26-16/h3-10,23H,11-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166301
((4-Methoxy-phenyl)-[2-methyl-3-(3-prop-2-ynyloxy-b...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OCC#C)c2)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C28H22F3NO4/c1-4-14-35-22-7-5-6-19(15-22)16-24-18(2)32(27(33)20-8-10-21(34-3)11-9-20)26-13-12-23(17-25(24)26)36-28(29,30)31/h1,5-13,15,17H,14,16H2,2-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166303
(CHEMBL191087 | {3-[1-(4-Methoxy-benzoyl)-2-methyl-...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(OCC#N)c2)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C27H21F3N2O4/c1-17-23(15-18-4-3-5-21(14-18)35-13-12-31)24-16-22(36-27(28,29)30)10-11-25(24)32(17)26(33)19-6-8-20(34-2)9-7-19/h3-11,14,16H,13,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)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/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166291
(3-Methyl-5-{4-[2-(methyl-pyridin-2-yl-amino)-ethox...)Show InChI InChI=1S/C19H21N3O3S/c1-21(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)13-16-18(23)22(2)19(24)26-16/h3-10,23H,11-13H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166300
((S)-2-{2-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-...)Show SMILES C[C@H](Oc1cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)ccc1Cl)C(O)=O |wU:1.0,(11.52,1.27,;11.04,-.19,;9.55,-.52,;8.51,.64,;7.01,.32,;5.98,1.43,;4.48,1.11,;4,-.36,;4.91,-1.61,;6.44,-1.61,;4,-2.84,;4.41,-4.33,;3.45,-5.51,;4.3,-6.81,;5.77,-6.42,;7.06,-7.25,;8.43,-6.56,;9.72,-7.37,;8.5,-5,;7.22,-4.17,;5.86,-4.89,;2.54,-2.38,;1.22,-3.14,;-.13,-2.38,;-.13,-.84,;-1.48,-.05,;-2.8,-.84,;-4.15,-1.63,;-3.59,.5,;-2.01,-2.17,;1.22,-.05,;2.54,-.82,;6.46,2.92,;7.95,3.24,;9,2.11,;10.5,2.41,;12.09,-1.33,;11.6,-2.79,;13.6,-1.01,)| Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-15-4-7-19(28)22(11-15)36-13(2)25(34)35)18-10-16(38-26(29,30)31)5-8-20(18)33(12)24-17-6-3-14(27)9-21(17)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166292
((S)-2-{3-[1-(4-Methoxy-phenyl)-2-methyl-5-trifluor...)Show SMILES COc1ccc(cc1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C27H24F3NO5/c1-16-23(14-18-5-4-6-21(13-18)35-17(2)26(32)33)24-15-22(36-27(28,29)30)11-12-25(24)31(16)19-7-9-20(34-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,32,33)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166298
((2S)-2-(4-chloro-3-(1-(6-chlorobenzo[d]isoxazol-3-...)Show SMILES C[C@H](Oc1ccc(Cl)c(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r,wU:1.0,(28.69,2.15,;28.21,.68,;26.71,.36,;25.68,1.51,;26.15,2.97,;25.11,4.12,;23.61,3.79,;22.58,4.93,;23.14,2.33,;21.64,2.01,;21.16,.55,;22.08,-.71,;23.62,-.71,;21.17,-1.96,;21.64,-3.43,;20.75,-4.67,;21.65,-5.92,;23.11,-5.44,;24.44,-6.21,;25.77,-5.44,;27.1,-6.21,;25.76,-3.9,;24.44,-3.14,;23.11,-3.9,;19.69,-1.48,;18.35,-2.26,;17.02,-1.48,;17.02,.06,;15.69,.83,;15.69,2.37,;15.67,3.91,;17.23,2.38,;14.15,2.36,;18.35,.83,;19.69,.07,;24.17,1.18,;29.24,-.46,;30.75,-.14,;28.77,-1.93,)| Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-22-11-15(4-7-19(22)28)36-13(2)25(34)35)18-10-16(38-26(29,30)31)5-8-20(18)33(12)24-17-6-3-14(27)9-21(17)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166293
((S)-2-{3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)Show SMILES C[C@H](Oc1cccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |wU:1.0,(13.85,3.3,;13.37,1.84,;11.87,1.53,;10.83,2.67,;11.32,4.14,;10.28,5.27,;8.78,4.95,;8.3,3.48,;6.81,3.15,;6.33,1.67,;7.23,.42,;8.77,.42,;6.33,-.81,;6.74,-2.3,;5.77,-3.48,;6.62,-4.79,;8.09,-4.38,;9.39,-5.21,;10.76,-4.51,;12.04,-5.34,;10.83,-2.97,;9.55,-2.14,;8.19,-2.84,;4.86,-.33,;3.54,-1.12,;2.19,-.33,;2.19,1.2,;.84,1.97,;-.48,1.2,;-1.27,2.53,;.31,-.14,;-1.83,.41,;3.54,1.97,;4.86,1.21,;9.34,2.35,;14.41,.7,;13.92,-.77,;15.92,1.02,)| Show InChI InChI=1S/C26H18ClF3N2O6/c1-13-23(36-17-5-3-4-16(11-17)35-14(2)25(33)34)20-12-18(37-26(28,29)30)7-9-21(20)32(13)24-19-8-6-15(27)10-22(19)38-31-24/h3-12,14H,1-2H3,(H,33,34)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 195 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50157917
((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFL...)Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |r| Show InChI InChI=1S/C28H24F3NO6/c1-16-23(14-18-5-4-6-21(13-18)37-17(2)27(34)35)24-15-22(38-28(29,30)31)11-12-25(24)32(16)26(33)19-7-9-20(36-3)10-8-19/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166302
((S)-2-{5-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-met...)Show SMILES CCCc1ccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)cc1O[C@@H](C)C(O)=O |wU:36.41,(13.07,5.11,;11.56,4.8,;11.09,3.32,;9.59,3.02,;8.54,4.16,;7.04,3.84,;6.56,2.36,;5.07,2.04,;4.59,.56,;5.49,-.7,;7.03,-.7,;4.59,-1.93,;5,-3.42,;4.03,-4.6,;4.88,-5.91,;6.35,-5.49,;7.65,-6.33,;9.02,-5.63,;10.31,-6.46,;9.09,-4.09,;7.81,-3.25,;6.45,-3.96,;3.12,-1.45,;1.8,-2.23,;.45,-1.45,;.45,.09,;-.9,.86,;-2.22,.09,;-3.57,-.71,;-3.01,1.42,;-1.43,-1.26,;1.8,.86,;3.12,.09,;7.6,1.23,;9.1,1.56,;10.14,.41,;11.63,.72,;12.11,2.19,;12.68,-.4,;12.19,-1.88,;14.19,-.09,)| Show InChI InChI=1S/C29H24ClF3N2O6/c1-4-5-17-6-8-19(14-24(17)38-16(3)28(36)37)39-26-15(2)35(27-21-10-7-18(30)12-25(21)41-34-27)23-11-9-20(13-22(23)26)40-29(31,32)33/h6-14,16H,4-5H2,1-3H3,(H,36,37)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166294
((S)-2-{3-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-...)Show SMILES C[C@H](Oc1cc(Cl)cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |wU:1.0,(9.04,3.41,;8.56,1.95,;7.06,1.63,;6.03,2.78,;6.51,4.25,;5.47,5.39,;5.94,6.86,;3.96,5.06,;3.49,3.58,;1.99,3.26,;1.51,1.78,;2.42,.53,;3.96,.53,;1.51,-.71,;1.92,-2.19,;.95,-3.38,;1.8,-4.68,;3.28,-4.28,;4.57,-5.12,;5.94,-4.42,;7.24,-5.24,;6.01,-2.87,;4.73,-2.03,;3.37,-2.75,;.05,-.23,;-1.28,-1.01,;-2.63,-.23,;-2.63,1.3,;-3.98,2.09,;-5.3,1.3,;-6.65,.51,;-6.1,2.64,;-4.51,-.03,;-1.28,2.09,;.05,1.32,;4.52,2.46,;9.61,.81,;9.12,-.66,;11.12,1.13,)| Show InChI InChI=1S/C26H17Cl2F3N2O6/c1-12-23(37-18-8-15(28)7-17(10-18)36-13(2)25(34)35)20-11-16(38-26(29,30)31)4-6-21(20)33(12)24-19-5-3-14(27)9-22(19)39-32-24/h3-11,13H,1-2H3,(H,34,35)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 114 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166295
((R)-2-{4-Chloro-3-[1-(6-methoxy-benzo[d]isoxazol-3...)Show SMILES COc1ccc2c(noc2c1)-n1c(C)c(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c2cc(OC(F)(F)F)ccc12 |wD:20.22,(29.61,-7.83,;29.61,-6.29,;28.28,-5.52,;28.28,-3.99,;26.95,-3.22,;25.63,-3.99,;24.17,-3.51,;23.28,-4.76,;24.18,-5.99,;25.63,-5.52,;26.95,-6.28,;23.7,-2.06,;24.59,-.82,;26.14,-.82,;23.7,.43,;24.17,1.91,;25.67,2.23,;26.71,1.11,;28.2,1.44,;29.24,.28,;30.75,.6,;31.22,2.06,;31.78,-.54,;31.31,-2.01,;33.29,-.22,;28.68,2.9,;27.65,4.04,;26.15,3.72,;25.11,4.84,;22.23,-.03,;20.89,.74,;19.55,-.05,;18.2,.74,;16.86,-.05,;17.65,-1.38,;15.53,-.84,;16.08,1.3,;19.55,-1.58,;20.89,-2.36,;22.23,-1.58,)| Show InChI InChI=1S/C28H22ClF3N2O6/c1-14-21(11-16-10-18(5-8-23(16)29)38-15(2)27(35)36)22-12-19(39-28(30,31)32)6-9-24(22)34(14)26-20-7-4-17(37-3)13-25(20)40-33-26/h4-10,12-13,15H,11H2,1-3H3,(H,35,36)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50166296
((S)-2-{3-[1-(6-Methoxy-quinolin-3-yl)-2-methyl-5-t...)Show SMILES COc1ccc2ncc(cc2c1)-n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C30H25F3N2O5/c1-17-25(12-19-5-4-6-23(11-19)39-18(2)29(36)37)26-15-24(40-30(31,32)33)8-10-28(26)35(17)21-13-20-14-22(38-3)7-9-27(20)34-16-21/h4-11,13-16,18H,12H2,1-3H3,(H,36,37)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Maximal intrinsic response against peroxisome proliferator activated receptor gamma transactivation |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092
BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this
Ligand-Target Pair | |
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