BDBM50509716 CHEMBL4445026

SMILES: Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(nn1)-c1ccccc1

InChI Key: InChIKey=UWFZXJWPNDCUOE-UXHLAJHPSA-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 = 50509716   

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))	BDBM50509716 (CHEMBL4445026) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C29H26N6O/c1-2-8-23(9-3-1)35-19-22(32-34-35)20-36-24-16-14-21(15-17-24)18-30-33-29-25-10-4-6-12-27(25)31-28-13-7-5-11-26(28)29/h1-4,6,8-10,12,14-19H,5,7,11,13,20H2,(H,31,33)/b30-18+	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509716 (CHEMBL4445026) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C29H26N6O/c1-2-8-23(9-3-1)35-19-22(32-34-35)20-36-24-16-14-21(15-17-24)18-30-33-29-25-10-4-6-12-27(25)31-28-13-7-5-11-26(28)29/h1-4,6,8-10,12,14-19H,5,7,11,13,20H2,(H,31,33)/b30-18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	917	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50509716 (CHEMBL4445026) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C29H26N6O/c1-2-8-23(9-3-1)35-19-22(32-34-35)20-36-24-16-14-21(15-17-24)18-30-33-29-25-10-4-6-12-27(25)31-28-13-7-5-11-26(28)29/h1-4,6,8-10,12,14-19H,5,7,11,13,20H2,(H,31,33)/b30-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair