BDBM50509718 CHEMBL4466829

SMILES: Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(Cc2ccccc2)nn1

InChI Key: InChIKey=UPFUAMRNRBIMEV-FDAWAROLSA-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 = 50509718   

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
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50509718 (CHEMBL4466829) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-2-8-23(9-3-1)19-36-20-24(33-35-36)21-37-25-16-14-22(15-17-25)18-31-34-30-26-10-4-6-12-28(26)32-29-13-7-5-11-27(29)30/h1-4,6,8-10,12,14-18,20H,5,7,11,13,19,21H2,(H,32,34)/b31-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509718 (CHEMBL4466829) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-2-8-23(9-3-1)19-36-20-24(33-35-36)21-37-25-16-14-22(15-17-25)18-31-34-30-26-10-4-6-12-28(26)32-29-13-7-5-11-27(29)30/h1-4,6,8-10,12,14-18,20H,5,7,11,13,19,21H2,(H,32,34)/b31-18+	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	1.05E+3	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))	BDBM50509718 (CHEMBL4466829) Show SMILES Cl.C(Oc1ccc(\C=N\Nc2c3CCCCc3nc3ccccc23)cc1)c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C30H28N6O/c1-2-8-23(9-3-1)19-36-20-24(33-35-36)21-37-25-16-14-22(15-17-25)18-31-34-30-26-10-4-6-12-28(26)32-29-13-7-5-11-27(29)30/h1-4,6,8-10,12,14-18,20H,5,7,11,13,19,21H2,(H,32,34)/b31-18+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	547	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