BDBM50447030 CHEMBL3116280

SMILES: COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1

InChI Key: InChIKey=CTXLHWVBEFYFSI-UHFFFAOYSA-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 = 50447030   

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
Cholinesterase (Equus caballus (Horse))	BDBM50447030 (CHEMBL3116280) Show SMILES COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1 Show InChI InChI=1S/C23H31N3O2/c1-17(2)25(18(3)4)14-15-26-22-9-7-6-8-21(22)23(24-26)28-16-19-10-12-20(27-5)13-11-19/h6-13,17-18H,14-16H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50447030 (CHEMBL3116280) Show SMILES COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1 Show InChI InChI=1S/C23H31N3O2/c1-17(2)25(18(3)4)14-15-26-22-9-7-6-8-21(22)23(24-26)28-16-19-10-12-20(27-5)13-11-19/h6-13,17-18H,14-16H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman's assay				Eur J Med Chem 166: 90-107 (2019) Article DOI: 10.1016/j.ejmech.2019.01.030
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50447030 (CHEMBL3116280) Show SMILES COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1 Show InChI InChI=1S/C23H31N3O2/c1-17(2)25(18(3)4)14-15-26-22-9-7-6-8-21(22)23(24-26)28-16-19-10-12-20(27-5)13-11-19/h6-13,17-18H,14-16H2,1-5H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman's assay				Eur J Med Chem 166: 90-107 (2019) Article DOI: 10.1016/j.ejmech.2019.01.030
					More data for this Ligand-Target Pair