BDBM50523579 CHEMBL4473000

SMILES: Cc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2C)C1=O

InChI Key: InChIKey=KZFVCZKLGTXBHJ-AWSUPERCSA-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 = 50523579   

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
Cholinesterase (Equus caballus (Horse))	BDBM50523579 (CHEMBL4473000) Show SMILES Cc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2C)C1=O |c:39,t:32| Show InChI InChI=1S/C46H41N5O/c1-28-13-3-5-15-30(28)23-32-25-47-27-45(44(32)52)41(33-16-6-4-14-29(33)2)40(24-31-26-48-37-20-10-8-17-34(31)37)51-46(45)36-19-9-7-18-35(36)42-43(46)50-39-22-12-11-21-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b32-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50523579 (CHEMBL4473000) Show SMILES Cc1ccccc1\C=C1/CNCC2(C(C(Cc3c[nH]c4ccccc34)NC22C3N=c4ccccc4=NC3c3ccccc23)c2ccccc2C)C1=O |c:39,t:32| Show InChI InChI=1S/C46H41N5O/c1-28-13-3-5-15-30(28)23-32-25-47-27-45(44(32)52)41(33-16-6-4-14-29(33)2)40(24-31-26-48-37-20-10-8-17-34(31)37)51-46(45)36-19-9-7-18-35(36)42-43(46)50-39-22-12-11-21-38(39)49-42/h3-23,26,40-43,47-48,51H,24-25,27H2,1-2H3/b32-23+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+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