BDBM50147782 CHEMBL3764488

SMILES: NC1=C(C#N)C2(C(=O)c3ccc(Br)c4c(Br)ccc2c34)C(=C2NCCCN12)[N+]([O-])=O

InChI Key: InChIKey=VGPBJNURLOIXIG-UHFFFAOYSA-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 = 50147782   

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))	BDBM50147782 (CHEMBL3764488) Show SMILES NC1=C(C#N)C2(C(=O)c3ccc(Br)c4c(Br)ccc2c34)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:23| Show InChI InChI=1S/C20H13Br2N5O3/c21-12-4-2-9-14-10(3-5-13(22)15(12)14)20(17(9)28)11(8-23)18(24)26-7-1-6-25-19(26)16(20)27(29)30/h2-5,25H,1,6-7,24H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50147782 (CHEMBL3764488) Show SMILES NC1=C(C#N)C2(C(=O)c3ccc(Br)c4c(Br)ccc2c34)C(=C2NCCCN12)[N+]([O-])=O |c:1,t:23| Show InChI InChI=1S/C20H13Br2N5O3/c21-12-4-2-9-14-10(3-5-13(22)15(12)14)20(17(9)28)11(8-23)18(24)26-7-1-6-25-19(26)16(20)27(29)30/h2-5,25H,1,6-7,24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Persian Gulf University Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin) using acetylthiocholine as substrate assessed as reduction of DTNB to TNB preincubated for 20 mins followed by ad...				Bioorg Med Chem 24: 1408-17 (2016) BindingDB Entry DOI: 10.7270/Q2028TDN
					More data for this Ligand-Target Pair