BDBM50265254 (S)-tert-butyl 1,5-dioxo-1,5-bis(2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino)pentan-2-ylcarbamate::CHEMBL504571

SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=SDWNZYRDLZAVEZ-UMSFTDKQSA-N

Data: 2 KI

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 = 50265254   

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))	BDBM50265254 ((S)-tert-butyl 1,5-dioxo-1,5-bis(2-(1,2,3,4-tetrah...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C40H51N7O4/c1-40(2,3)51-39(50)47-34(38(49)44-25-24-43-37-28-14-6-10-18-32(28)46-33-19-11-7-15-29(33)37)20-21-35(48)41-22-23-42-36-26-12-4-8-16-30(26)45-31-17-9-5-13-27(31)36/h4,6,8,10,12,14,16,18,34H,5,7,9,11,13,15,17,19-25H2,1-3H3,(H,41,48)(H,42,45)(H,43,46)(H,44,49)(H,47,50)/t34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50265254 ((S)-tert-butyl 1,5-dioxo-1,5-bis(2-(1,2,3,4-tetrah...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C40H51N7O4/c1-40(2,3)51-39(50)47-34(38(49)44-25-24-43-37-28-14-6-10-18-32(28)46-33-19-11-7-15-29(33)37)20-21-35(48)41-22-23-42-36-26-12-4-8-16-30(26)45-31-17-9-5-13-27(31)36/h4,6,8,10,12,14,16,18,34H,5,7,9,11,13,15,17,19-25H2,1-3H3,(H,41,48)(H,42,45)(H,43,46)(H,44,49)(H,47,50)/t34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	15.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
European Research Centre for Drug Discovery and Development (NatSynDrugs) Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				Bioorg Med Chem Lett 18: 5213-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.076 BindingDB Entry DOI: 10.7270/Q29W0F9S
					More data for this Ligand-Target Pair