BDBM86009 Chalcone, 9

SMILES: COc1ccc(\C=C\C(=O)c2ccccc2O)cc1OC

InChI Key: InChIKey=MFLSRHQHCDTOGH-VQHVLOKHSA-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 = 86009   

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
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM86009 (Chalcone, 9) Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1OC Show InChI InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	8.0	25
Quaid-i-Azam University					Assay Description In vitro cholinesterase inhibition assay using electric-eel acetylcholinesterase, horse-serum butyrylcholinesterse. The IC50 values were calculated ...				J Enzyme Inhib Med Chem 20: 41-7 (2005) Article DOI: 10.1080/14756360400015231 BindingDB Entry DOI: 10.7270/Q2FX781C
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM86009 (Chalcone, 9) Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1OC Show InChI InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP in human MCF7/MX cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by Fluorometry				Bioorg Med Chem 20: 346-55 (2011) Article DOI: 10.1016/j.bmc.2011.10.074 BindingDB Entry DOI: 10.7270/Q24X587H
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM86009 (Chalcone, 9) Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2O)cc1OC Show InChI InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by fluorimetry				Bioorg Med Chem 20: 346-55 (2011) Article DOI: 10.1016/j.bmc.2011.10.074 BindingDB Entry DOI: 10.7270/Q24X587H
					More data for this Ligand-Target Pair