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Enter Data

BDBM50084040 BAVACHININ A::Bavachinin A

SMILES: [#6]-[#8]-c1cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1

InChI Key: InChIKey=VOCGSQHKPZSIKB-FQEVSTJZSA-N

Data: 1 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084040
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50084040 (BAVACHININ A \| Bavachinin A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...				Bioorg Med Chem Lett 25: 2579-83 (2015) Article DOI: 10.1016/j.bmcl.2015.04.029 BindingDB Entry DOI: 10.7270/Q2SQ9224
					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50084040 (BAVACHININ A \| Bavachinin A) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...				Eur J Med Chem 112: 280-8 (2016) BindingDB Entry DOI: 10.7270/Q2TQ63D6
Dalian Institute of Chemical Physics Curated by ChEMBL					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50084040 (BAVACHININ A \| Bavachinin A) Show SMILES Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Institute of Chemical Physics Curated by ChEMBL					Assay Description Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...				Eur J Med Chem 112: 280-8 (2016) BindingDB Entry DOI: 10.7270/Q2TQ63D6
Dalian Institute of Chemical Physics Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50084040 (BAVACHININ A \| Bavachinin A) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	617	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...				Bioorg Med Chem Lett 25: 2579-83 (2015) Article DOI: 10.1016/j.bmcl.2015.04.029 BindingDB Entry DOI: 10.7270/Q2SQ9224
					More data for this Ligand-Target Pair