BDBM50013729 CHEMBL3264919

SMILES: CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O

InChI Key: InChIKey=AIRBVWFEAYREHQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50013729   

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))	BDBM50013729 (CHEMBL3264919) Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C34H42N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h8-10,13-14,16-23H,7,11-12,15,24H2,1-6H3,(H,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at human PPAR-alpha				Bioorg Med Chem Lett 24: 2267-72 (2014) Article DOI: 10.1016/j.bmcl.2014.03.090 BindingDB Entry DOI: 10.7270/Q2GX4D33
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50013729 (CHEMBL3264919) Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C34H42N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h8-10,13-14,16-23H,7,11-12,15,24H2,1-6H3,(H,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at human PPARalpha				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 alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50013729 (CHEMBL3264919) Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C34H42N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h8-10,13-14,16-23H,7,11-12,15,24H2,1-6H3,(H,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Inception Sciences Curated by ChEMBL					Assay Description Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ...				Bioorg Med Chem Lett 24: 2267-72 (2014) Article DOI: 10.1016/j.bmcl.2014.03.090 BindingDB Entry DOI: 10.7270/Q2GX4D33
					More data for this Ligand-Target Pair