BDBM50384991 CHEMBL2037580

SMILES: Cc1nc(sc1C(CCCCc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=HKPPZDJYTWTWDJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50384991   

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 delta (Homo sapiens (Human))	BDBM50384991 (CHEMBL2037580) Show SMILES Cc1nc(sc1C(CCCCc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H30F3NO3S2/c1-20-18-25(16-17-26(20)38-19-28(36)37)39-27(11-7-6-10-22-8-4-3-5-9-22)29-21(2)35-30(40-29)23-12-14-24(15-13-23)31(32,33)34/h3-5,8-9,12-18,27H,6-7,10-11,19H2,1-2H3,(H,36,37)	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	38.8	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Transactivation activity at human PPARdelta expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 53: 190-202 (2012) Article DOI: 10.1016/j.ejmech.2012.03.055 BindingDB Entry DOI: 10.7270/Q2JW8FX2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50384991 (CHEMBL2037580) Show SMILES Cc1nc(sc1C(CCCCc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H30F3NO3S2/c1-20-18-25(16-17-26(20)38-19-28(36)37)39-27(11-7-6-10-22-8-4-3-5-9-22)29-21(2)35-30(40-29)23-12-14-24(15-13-23)31(32,33)34/h3-5,8-9,12-18,27H,6-7,10-11,19H2,1-2H3,(H,36,37)	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	>1.00E+4	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Transactivation activity at human PPARgamma expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 53: 190-202 (2012) Article DOI: 10.1016/j.ejmech.2012.03.055 BindingDB Entry DOI: 10.7270/Q2JW8FX2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50384991 (CHEMBL2037580) Show SMILES Cc1nc(sc1C(CCCCc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H30F3NO3S2/c1-20-18-25(16-17-26(20)38-19-28(36)37)39-27(11-7-6-10-22-8-4-3-5-9-22)29-21(2)35-30(40-29)23-12-14-24(15-13-23)31(32,33)34/h3-5,8-9,12-18,27H,6-7,10-11,19H2,1-2H3,(H,36,37)	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	>1.00E+4	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Transactivation activity at human PPARalpha expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 53: 190-202 (2012) Article DOI: 10.1016/j.ejmech.2012.03.055 BindingDB Entry DOI: 10.7270/Q2JW8FX2
					More data for this Ligand-Target Pair