Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50013065 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 delta
(Homo sapiens (Human)) | BDBM50126016
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12 Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR alpha in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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
In vitro binding affinity for human PPAR delta in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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
In vitro binding affinity for human PPAR alpha in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50085040
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1 Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR alpha in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126019
(CHEMBL1783033 | CHEMBL23874 | {3-Chloro-4-[3-(3-hy...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc(C(CC)N=O)c1O Show InChI InChI=1S/C23H28ClNO5S/c1-3-6-17-20(9-8-16(23(17)28)19(4-2)25-29)30-11-5-12-31-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,19,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR delta in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
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Patents
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR delta in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126020
(CHEMBL25710 | {3-Chloro-4-[3-(3-hydroxy-4-propiony...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(=O)CC Show InChI InChI=1S/C23H27ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
In vitro binding affinity for human PPAR delta in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126021
(CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
In vitro binding affinity for human PPAR alpha in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR delta in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126019
(CHEMBL1783033 | CHEMBL23874 | {3-Chloro-4-[3-(3-hy...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc(C(CC)N=O)c1O Show InChI InChI=1S/C23H28ClNO5S/c1-3-6-17-20(9-8-16(23(17)28)19(4-2)25-29)30-11-5-12-31-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,19,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR alpha |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085040
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1 Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR alpha in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50085040
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1 Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126019
(CHEMBL1783033 | CHEMBL23874 | {3-Chloro-4-[3-(3-hy...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc(C(CC)N=O)c1O Show InChI InChI=1S/C23H28ClNO5S/c1-3-6-17-20(9-8-16(23(17)28)19(4-2)25-29)30-11-5-12-31-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,19,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR gamma |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126016
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12 Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29) | 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
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
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
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126020
(CHEMBL25710 | {3-Chloro-4-[3-(3-hydroxy-4-propiony...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(=O)CC Show InChI InChI=1S/C23H27ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR delta |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR alpha in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR delta |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126016
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12 Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126021
(CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126020
(CHEMBL25710 | {3-Chloro-4-[3-(3-hydroxy-4-propiony...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(=O)CC Show InChI InChI=1S/C23H27ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR alpha in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR delta in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126021
(CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR alpha in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR alpha |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 102 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR gamma |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29) | 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
| PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR delta in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126016
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12 Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126020
(CHEMBL25710 | {3-Chloro-4-[3-(3-hydroxy-4-propiony...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(=O)CC Show InChI InChI=1S/C23H27ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR gamma |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
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
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR delta |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126019
(CHEMBL1783033 | CHEMBL23874 | {3-Chloro-4-[3-(3-hy...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc(C(CC)N=O)c1O Show InChI InChI=1S/C23H28ClNO5S/c1-3-6-17-20(9-8-16(23(17)28)19(4-2)25-29)30-11-5-12-31-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,19,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR delta in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126017
(CHEMBL23670 | {3-Chloro-4-[3-(3-ethyl-7-propyl-ben...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)coc12 Show InChI InChI=1S/C24H27ClO4S/c1-3-6-19-21(9-8-18-17(4-2)15-29-24(18)19)28-11-5-12-30-22-10-7-16(13-20(22)25)14-23(26)27/h7-10,13,15H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR alpha |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126021
(CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR delta |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity for human PPAR gamma in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50085040
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1 Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR gamma |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126021
(CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR gamma |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126019
(CHEMBL1783033 | CHEMBL23874 | {3-Chloro-4-[3-(3-hy...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc(C(CC)N=O)c1O Show InChI InChI=1S/C23H28ClNO5S/c1-3-6-17-20(9-8-16(23(17)28)19(4-2)25-29)30-11-5-12-31-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,19,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 74 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR alpha |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126019
(CHEMBL1783033 | CHEMBL23874 | {3-Chloro-4-[3-(3-hy...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc(C(CC)N=O)c1O Show InChI InChI=1S/C23H28ClNO5S/c1-3-6-17-20(9-8-16(23(17)28)19(4-2)25-29)30-11-5-12-31-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,19,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR gamma |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 125 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR alpha |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126020
(CHEMBL25710 | {3-Chloro-4-[3-(3-hydroxy-4-propiony...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(=O)CC Show InChI InChI=1S/C23H27ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 260 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR alpha |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50126016
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12 Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 247 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR alpha |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126021
(CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR delta |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50085040
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1 Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR delta |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126016
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12 Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR delta |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50126020
(CHEMBL25710 | {3-Chloro-4-[3-(3-hydroxy-4-propiony...)Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(=O)CC Show InChI InChI=1S/C23H27ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR gamma |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50085040
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1 Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Transcriptional activation by human PPAR gamma |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
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