BDBM50028684 CHEMBL3356535

SMILES: Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12

InChI Key: InChIKey=KHNOMXGNYODHJW-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 = 50028684   

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 (Homo sapiens (Human))	BDBM50028684 (CHEMBL3356535) Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C26H25N3O3/c30-22-12-5-9-18-24(22)23(31)15-21(26(18)32)27-13-6-14-28-25-16-7-1-3-10-19(16)29-20-11-4-2-8-17(20)25/h1,3,5,7,9-10,12,15,27,30H,2,4,6,8,11,13-14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028684 (CHEMBL3356535) Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C26H25N3O3/c30-22-12-5-9-18-24(22)23(31)15-21(26(18)32)27-13-6-14-28-25-16-7-1-3-10-19(16)29-20-11-4-2-8-17(20)25/h1,3,5,7,9-10,12,15,27,30H,2,4,6,8,11,13-14H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair