Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.7 BDBM50382327

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50382327 (CHEMBL2022403) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting				ACS Med Chem Lett 2: 793-797 (2011) Article DOI: 10.1021/ml200091q BindingDB Entry DOI: 10.7270/Q2KK9CS1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50382327 (CHEMBL2022403) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	989	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assay				ACS Med Chem Lett 2: 793-797 (2011) Article DOI: 10.1021/ml200091q BindingDB Entry DOI: 10.7270/Q2KK9CS1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50382327 (CHEMBL2022403) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1 Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	887	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay				ACS Med Chem Lett 2: 793-797 (2011) Article DOI: 10.1021/ml200091q BindingDB Entry DOI: 10.7270/Q2KK9CS1
					More data for this Ligand-Target Pair