BDBM50093227 CHEMBL3586608

SMILES: Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1

InChI Key: InChIKey=USTALMYDYGSTPY-UHFFFAOYSA-N

Data: 1 KI  7 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 8 hits for monomerid = 50093227   

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 (Electrophorus electricus (Electric eel))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE by Lineweaver-Burk plot				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	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	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of human serum BuChE by spectrophotometric Ellman's method				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50093227 (CHEMBL3586608) Show SMILES Cl.CN(Cc1ccccc1)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1 Show InChI InChI=1S/C17H13NO/c1-11-15-4-2-3-13-7-10-16(18(13)15)17(11)12-5-8-14(19)9-6-12/h2-10,19H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay				J Med Chem 58: 5561-78 (2015) Article DOI: 10.1021/acs.jmedchem.5b00599 BindingDB Entry DOI: 10.7270/Q26T0PCZ
					More data for this Ligand-Target Pair