BDBM50373915 CHEMBL272017

SMILES: Cc1sc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1

InChI Key: InChIKey=RSMDTYFYMJISKA-NBEIKUQISA-N

Data: 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 1 hit for monomerid = 50373915   

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 alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50373915 (CHEMBL272017) Show SMILES Cc1sc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1 |wU:10.10,13.18,wD:13.14,(17.5,-39.91,;16.25,-40.81,;14.79,-40.34,;13.88,-41.58,;14.78,-42.83,;16.25,-42.35,;17.5,-43.26,;18.9,-42.64,;20.15,-43.54,;21.56,-42.92,;22.8,-43.83,;24.2,-43.2,;25.44,-44.11,;25.28,-45.65,;25.26,-47.19,;23.87,-46.26,;22.63,-45.36,;26.81,-45.65,;27.58,-46.97,;27.58,-44.31,;12.34,-41.58,;11.57,-42.9,;10.04,-42.89,;9.28,-41.57,;7.74,-41.56,;10.04,-40.25,;11.57,-40.25,)| Show InChI InChI=1S/C21H27NO4S/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)/t16-,21+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Nippon Shinyaku Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in CV1 cells by transactivation assay				Bioorg Med Chem 16: 981-94 (2008) Article DOI: 10.1016/j.bmc.2007.10.007 BindingDB Entry DOI: 10.7270/Q2862H95
					More data for this Ligand-Target Pair