BDBM50456826 CHEMBL4205520

SMILES: [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1

InChI Key: InChIKey=DBRDRUNIMYQHRB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50456826   

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 (Electrophorus electricus (Electric eel))	BDBM50456826 (CHEMBL4205520) Show SMILES [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 Show InChI InChI=1S/C24H22NO3/c1-17-4-3-5-20(12-17)15-25-10-8-19(9-11-25)16-27-21-6-7-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456826 (CHEMBL4205520) Show SMILES [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 Show InChI InChI=1S/C24H22NO3/c1-17-4-3-5-20(12-17)15-25-10-8-19(9-11-25)16-27-21-6-7-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456826 (CHEMBL4205520) Show SMILES [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 Show InChI InChI=1S/C24H22NO3/c1-17-4-3-5-20(12-17)15-25-10-8-19(9-11-25)16-27-21-6-7-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180 secs b...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50456826 (CHEMBL4205520) Show SMILES [Br-].Cc1cccc(C[n+]2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)c1 Show InChI InChI=1S/C24H22NO3/c1-17-4-3-5-20(12-17)15-25-10-8-19(9-11-25)16-27-21-6-7-22-18(2)13-24(26)28-23(22)14-21/h3-14H,15-16H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB using p-tyramine as substrate after 15 mins by Amplex Red dye-based fluorometric method				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
					More data for this Ligand-Target Pair