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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50514827'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50514827
PNG
(CHEMBL4445084)
Show SMILES CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O |r|
Show InChI InChI=1S/C21H22Cl2N2O4S3/c1-2-3-4-5-6-17(20(26)27)30-21-24-16-9-8-14(12-18(16)31-21)25-32(28,29)19-10-7-13(22)11-15(19)23/h7-12,17,25H,2-6H2,1H3,(H,26,27)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 810n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay

J Med Chem 63: 4555-4561 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01786
BindingDB Entry DOI: 10.7270/Q2DB856K
More data for this
Ligand-Target Pair