BDBM10522 N-{7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]heptyl}-1,2,3,4-tetrahydroacridin-9-amine::tacrine heterobivalent compound 3f

SMILES: Clc1cc(Cl)c2c(SCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1

InChI Key: InChIKey=BLSWTOZZEVRLDD-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 10522   

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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM10522 (N-{7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl...) Show SMILES Clc1cc(Cl)c2c(SCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C33H37Cl2N3S/c34-22-20-26(35)31-30(21-22)38-29-17-9-6-14-25(29)33(31)39-19-11-3-1-2-10-18-36-32-23-12-4-7-15-27(23)37-28-16-8-5-13-24(28)32/h4,7,12,15,20-21H,1-3,5-6,8-11,13-14,16-19H2,(H,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80	-9.67	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita degli Studi di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				Bioorg Med Chem Lett 11: 1779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00294-3 BindingDB Entry DOI: 10.7270/Q2DZ06JN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10522 (N-{7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl...) Show SMILES Clc1cc(Cl)c2c(SCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C33H37Cl2N3S/c34-22-20-26(35)31-30(21-22)38-29-17-9-6-14-25(29)33(31)39-19-11-3-1-2-10-18-36-32-23-12-4-7-15-27(23)37-28-16-8-5-13-24(28)32/h4,7,12,15,20-21H,1-3,5-6,8-11,13-14,16-19H2,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	290	-8.91	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita degli Studi di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				Bioorg Med Chem Lett 11: 1779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00294-3 BindingDB Entry DOI: 10.7270/Q2DZ06JN
					More data for this Ligand-Target Pair