BDBM50448214 CHEMBL3120707

SMILES: COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12

InChI Key: InChIKey=RNFJBEHYBLYYQX-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50448214   

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))	BDBM50448214 (CHEMBL3120707) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C25H26N2O5/c1-29-19-10-13(11-20(30-2)24(19)31-3)21-16-9-8-14(28)12-18(16)32-25-22(21)23(26)15-6-4-5-7-17(15)27-25/h8-12,21,28H,4-7H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Noncompetitive inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for ...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448214 (CHEMBL3120707) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C25H26N2O5/c1-29-19-10-13(11-20(30-2)24(19)31-3)21-16-9-8-14(28)12-18(16)32-25-22(21)23(26)15-6-4-5-7-17(15)27-25/h8-12,21,28H,4-7H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Hospital Universitario de la Princesa Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Eur J Med Chem 166: 381-389 (2019)
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50448214 (CHEMBL3120707) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C25H26N2O5/c1-29-19-10-13(11-20(30-2)24(19)31-3)21-16-9-8-14(28)12-18(16)32-25-22(21)23(26)15-6-4-5-7-17(15)27-25/h8-12,21,28H,4-7H2,1-3H3,(H2,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Hospital Universitario de la Princesa Curated by ChEMBL					Assay Description Inhibition of bovine erythrocytes AChE using acetylthiocholine iodide as substrate by Ellman's methods				Eur J Med Chem 166: 381-389 (2019)
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50448214 (CHEMBL3120707) Show SMILES COc1cc(cc(OC)c1OC)C1c2ccc(O)cc2Oc2nc3CCCCc3c(N)c12 Show InChI InChI=1S/C25H26N2O5/c1-29-19-10-13(11-20(30-2)24(19)31-3)21-16-9-8-14(28)12-18(16)32-25-22(21)23(26)15-6-4-5-7-17(15)27-25/h8-12,21,28H,4-7H2,1-3H3,(H2,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AchE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured for 5 mins by Ellma...				Eur J Med Chem 74: 491-501 (2014) Article DOI: 10.1016/j.ejmech.2013.12.021 BindingDB Entry DOI: 10.7270/Q2G73G60
					More data for this Ligand-Target Pair