BDBM50246766 CHEMBL489079::Mofegiline::US9302986, Mofegiline

SMILES: NC\C(CCc1ccc(F)cc1)=C\F

InChI Key: InChIKey=VXLBSYHAEKDUSU-JXMROGBWSA-N

Data: 3 KI  10 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 13 hits for monomerid = 50246766   

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] B (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB expressed in Pichia pastoris by kinetic assay				J Med Chem 51: 8019-26 (2008) Article DOI: 10.1021/jm8011867 BindingDB Entry DOI: 10.7270/Q2542NGF
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA expressed in Pichia pastoris by kinetic assay				J Med Chem 51: 8019-26 (2008) Article DOI: 10.1021/jm8011867 BindingDB Entry DOI: 10.7270/Q2542NGF
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaxis Ltd. Curated by ChEMBL					Assay Description Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis				Bioorg Med Chem Lett 22: 3935-40 (2012) Article DOI: 10.1016/j.bmcl.2012.04.111 BindingDB Entry DOI: 10.7270/Q2SQ91D6
					More data for this Ligand-Target Pair
Diamine oxidase (DAO) (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.4	37
BOEHRINGER INGELHEIM INTERNATIONAL GMBH US Patent					Assay Description Recombinant human DAO (2.4 μg/mL) was used as source of DAO enzyme activities. The assay was performed as described in the method for human SSAO/V...				US Patent US9302986 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81QZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	37
BOEHRINGER INGELHEIM INTERNATIONAL GMBH US Patent					Assay Description Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities. The assay was performed in a similar way as for hu...				US Patent US9302986 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81QZ
					More data for this Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of rat membrane MAOB				J Med Chem 51: 8019-26 (2008) Article DOI: 10.1021/jm8011867 BindingDB Entry DOI: 10.7270/Q2542NGF
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaxis Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay				Bioorg Med Chem Lett 22: 3935-40 (2012) Article DOI: 10.1016/j.bmcl.2012.04.111 BindingDB Entry DOI: 10.7270/Q2SQ91D6
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	7.4	n/a
BOEHRINGER INGELHEIM INTERNATIONAL GMBH US Patent					Assay Description Briefly, HMEC cell expressing human SSAO/VAP-1 were grown in several 10 cm petri dishes, once the cells reached 100% confluency, cells were harvested...				US Patent US9302986 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81QZ
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaxis Ltd. Curated by ChEMBL					Assay Description Inhibition of human DAO measuring H2O2 production by Resorufin/Amplex Red assay				Bioorg Med Chem Lett 22: 3935-40 (2012) Article DOI: 10.1016/j.bmcl.2012.04.111 BindingDB Entry DOI: 10.7270/Q2SQ91D6
					More data for this Ligand-Target Pair
Amine oxidase, copper containing (Mus musculus)	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaxis Ltd. Curated by ChEMBL					Assay Description Inhibition of SSAO/VAP1 in mouse adipocytes measuring H2O2 production by Resorufin/Amplex Red assay				Bioorg Med Chem Lett 22: 3935-40 (2012) Article DOI: 10.1016/j.bmcl.2012.04.111 BindingDB Entry DOI: 10.7270/Q2SQ91D6
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaxis Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay				Bioorg Med Chem Lett 22: 3935-40 (2012) Article DOI: 10.1016/j.bmcl.2012.04.111 BindingDB Entry DOI: 10.7270/Q2SQ91D6
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Rattus norvegicus (Rat))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
BOEHRINGER INGELHEIM INTERNATIONAL GMBH US Patent					Assay Description Abdominal fat from BALB/c mice, Wistar or Sprague Dawley rats, which are tissues enriched with SSAO/VAP-1-were surgically removed. For every gram of ...				US Patent US9302986 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81QZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50246766 (CHEMBL489079 | Mofegiline | US9302986, Mofegiline) Show SMILES NC\C(CCc1ccc(F)cc1)=C\F Show InChI InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaxis Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay				Bioorg Med Chem Lett 22: 3935-40 (2012) Article DOI: 10.1016/j.bmcl.2012.04.111 BindingDB Entry DOI: 10.7270/Q2SQ91D6
					More data for this Ligand-Target Pair