BDBM10514 CHEMBL191758::N-(3-aminopropyl)-6-chloro-1,2,3,4-tetrahydroacridin-9-amine::N1-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine::tacrine (TC) deriv. 15

SMILES: NCCCNc1c2CCCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=FPBUGSBZFOFWAX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 10514   

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))	BDBM10514 (CHEMBL191758 | N-(3-aminopropyl)-6-chloro-1,2,3,4-...) Show SMILES NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C16H20ClN3/c17-11-6-7-13-15(10-11)20-14-5-2-1-4-12(14)16(13)19-9-3-8-18/h6-7,10H,1-5,8-9,18H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.5	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 48: 360-3 (2005) Article DOI: 10.1021/jm049112h BindingDB Entry DOI: 10.7270/Q2JQ0Z7J
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM10514 (CHEMBL191758 | N-(3-aminopropyl)-6-chloro-1,2,3,4-...) Show SMILES NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C16H20ClN3/c17-11-6-7-13-15(10-11)20-14-5-2-1-4-12(14)16(13)19-9-3-8-18/h6-7,10H,1-5,8-9,18H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
UniVersity of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BChE by Ellman's method				J Med Chem 51: 4381-4 (2008) Article DOI: 10.1021/jm800577j BindingDB Entry DOI: 10.7270/Q21G0M23
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10514 (CHEMBL191758 | N-(3-aminopropyl)-6-chloro-1,2,3,4-...) Show SMILES NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C16H20ClN3/c17-11-6-7-13-15(10-11)20-14-5-2-1-4-12(14)16(13)19-9-3-8-18/h6-7,10H,1-5,8-9,18H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.5	n/a	n/a	n/a	n/a	n/a	n/a
UniVersity of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman's method				J Med Chem 51: 4381-4 (2008) Article DOI: 10.1021/jm800577j BindingDB Entry DOI: 10.7270/Q21G0M23
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM10514 (CHEMBL191758 | N-(3-aminopropyl)-6-chloro-1,2,3,4-...) Show SMILES NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C16H20ClN3/c17-11-6-7-13-15(10-11)20-14-5-2-1-4-12(14)16(13)19-9-3-8-18/h6-7,10H,1-5,8-9,18H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...				J Med Chem 48: 360-3 (2005) Article DOI: 10.1021/jm049112h BindingDB Entry DOI: 10.7270/Q2JQ0Z7J
					More data for this Ligand-Target Pair