BDBM50418154 CHEMBL1760417

SMILES: CCCCN(c1cc(ccc1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C

InChI Key: InChIKey=BVTKQJBNQKCSOL-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50418154   

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))	BDBM50418154 (CHEMBL1760417) Show SMILES CCCCN(c1cc(ccc1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-16-30(25-17-23(9-8-18(25)2)22-10-12-24(29)13-11-22)36(33,34)27-15-14-26(19(3)20(27)4)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)	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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418154 (CHEMBL1760417) Show SMILES CCCCN(c1cc(ccc1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-16-30(25-17-23(9-8-18(25)2)22-10-12-24(29)13-11-22)36(33,34)27-15-14-26(19(3)20(27)4)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)	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	794	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Partial agonist activity at human PPARdelta expressed in african green monkey CV1 cells transfected with Gal4 assessed as beta-galactosidase activity...				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418154 (CHEMBL1760417) Show SMILES CCCCN(c1cc(ccc1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-16-30(25-17-23(9-8-18(25)2)22-10-12-24(29)13-11-22)36(33,34)27-15-14-26(19(3)20(27)4)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50418154 (CHEMBL1760417) Show SMILES CCCCN(c1cc(ccc1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C Show InChI InChI=1S/C28H32ClNO5S/c1-6-7-16-30(25-17-23(9-8-18(25)2)22-10-12-24(29)13-11-22)36(33,34)27-15-14-26(19(3)20(27)4)35-21(5)28(31)32/h8-15,17,21H,6-7,16H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARalpha by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair