BDBM50009741 1-Ethyl-phenoxathiine 10,10-dioxide::CHEMBL66225

SMILES: CCc1cccc2Oc3ccccc3S(=O)(=O)c12

InChI Key: InChIKey=HQSRQKBSOOZLHH-UHFFFAOYSA-N

Data: 2 KI  2 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 = 50009741   

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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50009741 (1-Ethyl-phenoxathiine 10,10-dioxide | CHEMBL66225) Show SMILES CCc1cccc2Oc3ccccc3S(=O)(=O)c12 Show InChI InChI=1S/C14H12O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h3-9H,2H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Monoamine Oxidase A in human				J Med Chem 34: 2931-3 (1991) BindingDB Entry DOI: 10.7270/Q28S4NW2
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50009741 (1-Ethyl-phenoxathiine 10,10-dioxide | CHEMBL66225) Show SMILES CCc1cccc2Oc3ccccc3S(=O)(=O)c12 Show InChI InChI=1S/C14H12O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h3-9H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards Monoamine Oxidase A in rat				J Med Chem 34: 2931-3 (1991) BindingDB Entry DOI: 10.7270/Q28S4NW2
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50009741 (1-Ethyl-phenoxathiine 10,10-dioxide | CHEMBL66225) Show SMILES CCc1cccc2Oc3ccccc3S(=O)(=O)c12 Show InChI InChI=1S/C14H12O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h3-9H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
The Wellcome Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against monoamine oxidase A.				J Med Chem 41: 2118-25 (1998) Article DOI: 10.1021/jm970862j BindingDB Entry DOI: 10.7270/Q25T3JM8
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50009741 (1-Ethyl-phenoxathiine 10,10-dioxide | CHEMBL66225) Show SMILES CCc1cccc2Oc3ccccc3S(=O)(=O)c12 Show InChI InChI=1S/C14H12O3S/c1-2-10-6-5-8-12-14(10)18(15,16)13-9-4-3-7-11(13)17-12/h3-9H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of Monoamine Oxidase A from rat brain				J Med Chem 34: 2931-3 (1991) BindingDB Entry DOI: 10.7270/Q28S4NW2
					More data for this Ligand-Target Pair