BDBM9347 (2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahydroacridin-1-ol::9-Amino-1 ,2,3,4-tetrahydroacridin-1-ol deriv. 1a::9-amino-1,2,3,4-tetrahydroacridin-1-ol maleate::CHEMBL23455::CHEMBL51934::HP-029

SMILES: Nc1c2C(O)CCCc2nc2ccccc12

InChI Key: InChIKey=HLVVITIHAZBPKB-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 9347   

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 (Rattus norvegicus (rat))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	7.4	25
Hoechst-Roussel Pharmaceuticals, Inc.					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman.				J Med Chem 32: 1805-13 (1989) Article DOI: 10.1021/jm00128a024 BindingDB Entry DOI: 10.7270/Q24Q7S6Z
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of (BChE) Butyrylcholinesterase of horse serum				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	702	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in human red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase using rat striatal preparations				J Med Chem 31: 1278-9 (1988) BindingDB Entry DOI: 10.7270/Q25D8QTS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in mouse red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase from rat striatal tissue				Bioorg Med Chem Lett 3: 2789-2792 (1993) Article DOI: 10.1016/S0960-894X(01)80765-4 BindingDB Entry DOI: 10.7270/Q2KD1XTB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in rat red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay				Bioorg Med Chem Lett 2: 861-864 (1992) Article DOI: 10.1016/S0960-894X(00)80545-4 BindingDB Entry DOI: 10.7270/Q29886XS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase				Bioorg Med Chem Lett 2: 865-870 (1992) Article DOI: 10.1016/S0960-894X(00)80546-6 BindingDB Entry DOI: 10.7270/Q25H7G51
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	954	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase in monkey red blood cell				J Med Chem 39: 3014-8 (1996) Article DOI: 10.1021/jm9602266 BindingDB Entry DOI: 10.7270/Q20V8BVM
					More data for this Ligand-Target Pair