Found 5 hits for monomerid = 50168549 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Peroxisome proliferator-activated receptor alpha (PPAR alpha)
(Homo sapiens (Human)) | BDBM50168549
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity against human PPARalpha in COS-1 cell Gal4 assay |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028 BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50168549
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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 In vitro binding affinity against human PPARdelta |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028 BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor
(Homo sapiens (Human)) | BDBM50168549
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/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 | 500 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity against human PPARgamma in COS-1 cell Gal4 assay |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028 BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha (PPAR alpha)
(Homo sapiens (Human)) | BDBM50168549
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028 BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor
(Homo sapiens (Human)) | BDBM50168549
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/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 | 3.70E+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 against human PPARgamma |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028 BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this Ligand-Target Pair | |