BDBM29887 alkynyl ether, 29

SMILES: CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12

InChI Key: InChIKey=NWDFSOFWSIMVJL-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 = 29887   

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))	BDBM29887 (alkynyl ether, 29) Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	300	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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM29887 (alkynyl ether, 29) Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	420	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))	BDBM29887 (alkynyl ether, 29) Show SMILES CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 Show InChI InChI=1S/C31H29F3O5S/c1-2-3-6-16-37-27-17-21(19-38-23-9-7-8-22(18-23)31(32,33)34)12-14-29(27)40-28-15-13-26(39-20-30(35)36)24-10-4-5-11-25(24)28/h7-9,12-15,17-18H,2,4-5,10-11,16,19-20H2,1H3,(H,35,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	-7.94	n/a	n/a	>1.00E+5	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