BDBM50185007 CHEMBL3822686

SMILES: COC(=O)C1=C(C)Oc2nc3CCCCc3c(N)c2C1c1cc2ccc(OC)cc2nc1Cl

InChI Key: InChIKey=ONOUEXYCZMTYTI-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50185007   

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))	BDBM50185007 (CHEMBL3822686) Show SMILES COC(=O)C1=C(C)Oc2nc3CCCCc3c(N)c2C1c1cc2ccc(OC)cc2nc1Cl |c:4| Show InChI InChI=1S/C25H24ClN3O4/c1-12-19(25(30)32-3)20(16-10-13-8-9-14(31-2)11-18(13)28-23(16)26)21-22(27)15-6-4-5-7-17(15)29-24(21)33-12/h8-11,20H,4-7H2,1-3H3,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Complutense Madrid (UCM) Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 15 mins followed by substrate addition by Dixon plot...				Eur J Med Chem 118: 178-92 (2016) BindingDB Entry DOI: 10.7270/Q25H7J5V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50185007 (CHEMBL3822686) Show SMILES COC(=O)C1=C(C)Oc2nc3CCCCc3c(N)c2C1c1cc2ccc(OC)cc2nc1Cl |c:4| Show InChI InChI=1S/C25H24ClN3O4/c1-12-19(25(30)32-3)20(16-10-13-8-9-14(31-2)11-18(13)28-23(16)26)21-22(27)15-6-4-5-7-17(15)29-24(21)33-12/h8-11,20H,4-7H2,1-3H3,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University Complutense Madrid (UCM) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins followed by substrate addition by Ellman's method				Eur J Med Chem 118: 178-92 (2016) BindingDB Entry DOI: 10.7270/Q25H7J5V
					More data for this Ligand-Target Pair