BDBM50508158 CHEMBL4474275

SMILES: CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2OC)cc1

InChI Key: InChIKey=WNZRKSQCSOZRSN-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50508158   

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))	BDBM50508158 (CHEMBL4474275) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2OC)cc1 |(24.22,-19.3,;22.89,-20.08,;21.55,-19.33,;20.22,-20.11,;18.87,-19.36,;17.55,-20.14,;17.57,-21.67,;18.91,-22.44,;20.24,-21.65,;21.58,-22.41,;21.59,-23.95,;20.27,-24.73,;22.93,-24.71,;16.25,-22.45,;16.26,-23.99,;14.93,-24.77,;13.59,-24.01,;12.27,-24.79,;10.93,-24.03,;9.6,-24.81,;8.26,-24.06,;7.78,-22.59,;6.24,-22.6,;5.46,-21.27,;6.22,-19.93,;5.44,-18.61,;3.9,-18.62,;3.14,-19.97,;3.93,-21.29,;3.12,-17.29,;3.87,-15.95,;1.58,-17.31,;2.33,-15.95,;5.77,-24.06,;4.31,-24.55,;7.02,-24.96,;7.03,-26.5,;5.7,-27.26,;5.7,-28.8,;7.03,-29.57,;8.37,-28.8,;8.37,-27.25,;9.7,-26.48,;11.04,-27.24,;13.58,-22.48,;14.9,-21.69,)| Show InChI InChI=1S/C35H32F3N3O5/c1-3-46-30-20-15-25(21-26(30)22-33(42)43)24-13-11-23(12-14-24)7-6-10-32-39-41(28-18-16-27(17-19-28)35(36,37)38)34(44)40(32)29-8-4-5-9-31(29)45-2/h4-5,8-9,11-21H,3,6-7,10,22H2,1-2H3,(H,42,43)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARdelta assessed as inhibition of GW0742-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50508158 (CHEMBL4474275) Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2OC)cc1 |(24.22,-19.3,;22.89,-20.08,;21.55,-19.33,;20.22,-20.11,;18.87,-19.36,;17.55,-20.14,;17.57,-21.67,;18.91,-22.44,;20.24,-21.65,;21.58,-22.41,;21.59,-23.95,;20.27,-24.73,;22.93,-24.71,;16.25,-22.45,;16.26,-23.99,;14.93,-24.77,;13.59,-24.01,;12.27,-24.79,;10.93,-24.03,;9.6,-24.81,;8.26,-24.06,;7.78,-22.59,;6.24,-22.6,;5.46,-21.27,;6.22,-19.93,;5.44,-18.61,;3.9,-18.62,;3.14,-19.97,;3.93,-21.29,;3.12,-17.29,;3.87,-15.95,;1.58,-17.31,;2.33,-15.95,;5.77,-24.06,;4.31,-24.55,;7.02,-24.96,;7.03,-26.5,;5.7,-27.26,;5.7,-28.8,;7.03,-29.57,;8.37,-28.8,;8.37,-27.25,;9.7,-26.48,;11.04,-27.24,;13.58,-22.48,;14.9,-21.69,)| Show InChI InChI=1S/C35H32F3N3O5/c1-3-46-30-20-15-25(21-26(30)22-33(42)43)24-13-11-23(12-14-24)7-6-10-32-39-41(28-18-16-27(17-19-28)35(36,37)38)34(44)40(32)29-8-4-5-9-31(29)45-2/h4-5,8-9,11-21H,3,6-7,10,22H2,1-2H3,(H,42,43)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba...				Bioorg Med Chem Lett 29: 503-508 (2019) Article DOI: 10.1016/j.bmcl.2018.12.045
					More data for this Ligand-Target Pair