BDBM50514827 CHEMBL4445084

SMILES CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O

InChI Key InChIKey=GTNKAJJMCCFDIU-QGZVFWFLSA-N

Data  3 EC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50514827   

TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50514827(CHEMBL4445084)
Show SMILES CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O
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
Affinity DataEC50:  810nMAssay Description:Partial agonist activity at Gal4-fused PPARdelta LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50514827(CHEMBL4445084)
Show SMILES CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O
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
Affinity DataEC50:  1.60nMAssay Description:Partial agonist activity at Gal4-fused PPARgamma LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50514827(CHEMBL4445084)
Show SMILES CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(O)=O
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
Affinity DataEC50:  430nMAssay Description:Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB