BDBM50152829 CHEMBL3780740
SMILES: OS(O)(=O)=O.COc1ccc(Oc2cc(ncn2)N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1
InChI Key: InChIKey=IFBYQAMJTBOBHB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50152829 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)) | BDBM50152829
(CHEMBL3780740)Show SMILES OS(O)(=O)=O.COc1ccc(Oc2cc(ncn2)N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at PPAR-gamma receptor (unknown origin) |
Bioorg Med Chem 24: 1937-80 (2016)
BindingDB Entry DOI: 10.7270/Q22B90WR |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha (PPAR alpha)
(Homo sapiens (Human)) | BDBM50152829
(CHEMBL3780740)Show SMILES OS(O)(=O)=O.COc1ccc(Oc2cc(ncn2)N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at PPAR-alpha receptor (unknown origin) |
Bioorg Med Chem 24: 1937-80 (2016)
BindingDB Entry DOI: 10.7270/Q22B90WR |
More data for this
Ligand-Target Pair | |
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