BDBM50523571 CHEMBL4522515

SMILES: Cc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(C)cc3)C2=O)cc1

InChI Key: InChIKey=LLRNRVXTQPDFHS-GZZLJNBRSA-N

Data: 2 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 = 50523571   

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))	BDBM50523571 (CHEMBL4522515) Show SMILES Cc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(C)cc3)C2=O)cc1 |c:36,t:29| Show InChI InChI=1S/C46H41N5O/c1-28-15-19-30(20-16-28)23-33-25-47-27-45(44(33)52)41(31-21-17-29(2)18-22-31)40(24-32-26-48-37-12-6-4-9-34(32)37)51-46(45)36-11-5-3-10-35(36)42-43(46)50-39-14-8-7-13-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition and measured afte...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50523571 (CHEMBL4522515) Show SMILES Cc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(C)cc3)C2=O)cc1 |c:36,t:29| Show InChI InChI=1S/C46H41N5O/c1-28-15-19-30(20-16-28)23-33-25-47-27-45(44(33)52)41(31-21-17-29(2)18-22-31)40(24-32-26-48-37-12-6-4-9-34(32)37)51-46(45)36-11-5-3-10-35(36)42-43(46)50-39-14-8-7-13-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b33-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition and measured a...				Bioorg Med Chem 27: 2621-2628 (2019) Article DOI: 10.1016/j.bmc.2019.03.058
					More data for this Ligand-Target Pair