BDBM50430667 CHEMBL156016

SMILES: C=CC(=O)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1

InChI Key: InChIKey=FYXRGLSUYBQDPY-IWGRKNQJSA-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 = 50430667   

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 (Homo sapiens (Human))	BDBM50430667 (CHEMBL156016) Show SMILES C=CC(=O)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1 Show InChI InChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine iodide substrate by Ellman's method based spectrophotometry				Bioorg Med Chem 21: 1696-707 (2013) Article DOI: 10.1016/j.bmc.2013.01.066 BindingDB Entry DOI: 10.7270/Q2RJ4KVQ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430667 (CHEMBL156016) Show SMILES C=CC(=O)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1 Show InChI InChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...				Bioorg Med Chem Lett 23: 2979-83 (2013) Article DOI: 10.1016/j.bmcl.2013.03.027 BindingDB Entry DOI: 10.7270/Q2057H97
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50430667 (CHEMBL156016) Show SMILES C=CC(=O)N1C\C(=C/c2ccccc2)C(=O)\C(C1)=C\c1ccccc1 Show InChI InChI=1S/C22H19NO2/c1-2-21(24)23-15-19(13-17-9-5-3-6-10-17)22(25)20(16-23)14-18-11-7-4-8-12-18/h2-14H,1,15-16H2/b19-13+,20-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine chloride substrate by Ellman's method based spectrophotometry				Bioorg Med Chem 21: 1696-707 (2013) Article DOI: 10.1016/j.bmc.2013.01.066 BindingDB Entry DOI: 10.7270/Q2RJ4KVQ
					More data for this Ligand-Target Pair