BDBM29870 phenoxyacetic acid-ether, 12

SMILES: Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#N)ccc1OCC(O)=O

InChI Key: InChIKey=ANXBSPWXGJOSNL-UHFFFAOYSA-N

Data: 3 KI  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 = 29870   

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))	BDBM29870 (phenoxyacetic acid-ether, 12) Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#N)ccc1OCC(O)=O Show InChI InChI=1S/C26H22F3NO5S/c1-16-17(2)23(10-8-21(16)35-15-25(31)32)36-24-9-3-18(13-22(24)33-12-11-30)14-34-20-6-4-19(5-7-20)26(27,28)29/h3-10,13H,12,14-15H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Amgen					Assay Description The human PPARdelta ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...				Bioorg Med Chem Lett 19: 3550-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM29870 (phenoxyacetic acid-ether, 12) Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#N)ccc1OCC(O)=O Show InChI InChI=1S/C26H22F3NO5S/c1-16-17(2)23(10-8-21(16)35-15-25(31)32)36-24-9-3-18(13-22(24)33-12-11-30)14-34-20-6-4-19(5-7-20)26(27,28)29/h3-10,13H,12,14-15H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	-7.99	n/a	n/a	>1.00E+4	n/a	n/a	7.1	22
Amgen					Assay Description The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...				Bioorg Med Chem Lett 19: 3550-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM29870 (phenoxyacetic acid-ether, 12) Show SMILES Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#N)ccc1OCC(O)=O Show InChI InChI=1S/C26H22F3NO5S/c1-16-17(2)23(10-8-21(16)35-15-25(31)32)36-24-9-3-18(13-22(24)33-12-11-30)14-34-20-6-4-19(5-7-20)26(27,28)29/h3-10,13H,12,14-15H2,1-2H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Amgen					Assay Description The human PPARgamma ligand binding was directly measured using a filtration assay in a UniFilter 350 96-well assay plate (Polyfiltronics). The reacti...				Bioorg Med Chem Lett 19: 3550-4 (2009) Article DOI: 10.1016/j.bmcl.2009.04.151 BindingDB Entry DOI: 10.7270/Q2NK3CC0
					More data for this Ligand-Target Pair