BDBM50050554 CHEMBL3317863
SMILES: CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC(C)(C)CC(C)(C)C1
InChI Key: InChIKey=CTTGJGHAKDHCCV-GDLZYMKVSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50050554 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
(Homo sapiens (Human)) | BDBM50050554
(CHEMBL3317863)Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC(C)(C)CC(C)(C)C1 |r| Show InChI InChI=1S/C36H46N2O4/c1-6-18-42-32-17-12-27(20-29(34(40)41)19-26-10-8-7-9-11-26)21-30(32)22-37-33(39)28-13-15-31(16-14-28)38-24-35(2,3)23-36(4,5)25-38/h7-17,21,29H,6,18-20,22-25H2,1-5H3,(H,37,39)(H,40,41)/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 | 2.20 | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma |
Bioorg Med Chem Lett 24: 4001-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.023 BindingDB Entry DOI: 10.7270/Q20G3MTS |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor
(Homo sapiens (Human)) | BDBM50050554
(CHEMBL3317863)Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC(C)(C)CC(C)(C)C1 |r| Show InChI InChI=1S/C36H46N2O4/c1-6-18-42-32-17-12-27(20-29(34(40)41)19-26-10-8-7-9-11-26)21-30(32)22-37-33(39)28-13-15-31(16-14-28)38-24-35(2,3)23-36(4,5)25-38/h7-17,21,29H,6,18-20,22-25H2,1-5H3,(H,37,39)(H,40,41)/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 | 0.400 | n/a | n/a | n/a | n/a | n/a |
Okayama University
Curated by ChEMBL
| Assay Description Binding affinity to human His-tagged PPARgamma LBD by SPR method |
Bioorg Med Chem Lett 24: 4001-5 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.023 BindingDB Entry DOI: 10.7270/Q20G3MTS |
More data for this Ligand-Target Pair | |