BDBM203828 (2E)-2-[(3-methoxy-2-methylphenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one (3a)

SMILES: COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl

InChI Key: InChIKey=IOTYCSHGHQMTMS-FOWTUZBSSA-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 = 203828   

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))	BDBM203828 ((2E)-2-[(3-methoxy-2-methylphenyl)methylidene]-1,2...) Show SMILES COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl Show InChI InChI=1S/C19H18O2/c1-13-15(7-5-9-18(13)21-2)12-16-11-10-14-6-3-4-8-17(14)19(16)20/h3-9,12H,10-11H2,1-2H3/b16-12+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a	8.0	25
Wuhan University of Technology					Assay Description This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...				Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM203828 ((2E)-2-[(3-methoxy-2-methylphenyl)methylidene]-1,2...) Show SMILES COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl Show InChI InChI=1S/C19H18O2/c1-13-15(7-5-9-18(13)21-2)12-16-11-10-14-6-3-4-8-17(14)19(16)20/h3-9,12H,10-11H2,1-2H3/b16-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	7.4	38
Wuhan University of Technology					Assay Description A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...				Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Rattus norvegicus (rat))	BDBM203828 ((2E)-2-[(3-methoxy-2-methylphenyl)methylidene]-1,2...) Show SMILES COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl Show InChI InChI=1S/C19H18O2/c1-13-15(7-5-9-18(13)21-2)12-16-11-10-14-6-3-4-8-17(14)19(16)20/h3-9,12H,10-11H2,1-2H3/b16-12+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.04E+4	n/a	n/a	n/a	n/a	7.4	38
Wuhan University of Technology					Assay Description A fluorimetric method reported by Matsumoto et al.[T. Matsumoto, O. Suzuki, T. Furuta, M. Asai, Y. Kurokawa, Y. Nimura, Y. Katsumata, I. Takahashi. C...				Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM203828 ((2E)-2-[(3-methoxy-2-methylphenyl)methylidene]-1,2...) Show SMILES COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl Show InChI InChI=1S/C19H18O2/c1-13-15(7-5-9-18(13)21-2)12-16-11-10-14-6-3-4-8-17(14)19(16)20/h3-9,12H,10-11H2,1-2H3/b16-12+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Wuhan University of Technology					Assay Description This spectrophotometric assay is based on the reaction of 5,5-dithio-bis(2-nitrobenzoic)acid (DTNB) with thiocholine to yield a colored product. Sh...				Chem Biol Drug Des 88: 889-898 (2016) Article DOI: 10.1111/cbdd.12822 BindingDB Entry DOI: 10.7270/Q2TX3D65
					More data for this Ligand-Target Pair