BDBM220882 US9302986, 33

SMILES: CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1

InChI Key: InChIKey=PBHHQZSGADNWMY-XFFZJAGNSA-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 = 220882   

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))	BDBM220882 (US9302986, 33) Show SMILES CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1 Show InChI InChI=1S/C13H19FN2O3S/c1-10(2)16-20(17,18)13-5-3-12(4-6-13)19-9-11(7-14)8-15/h3-7,10,16H,8-9,15H2,1-2H3/b11-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 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
Diamine oxidase (DAO) (Homo sapiens (Human))	BDBM220882 (US9302986, 33) Show SMILES CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1 Show InChI InChI=1S/C13H19FN2O3S/c1-10(2)16-20(17,18)13-5-3-12(4-6-13)19-9-11(7-14)8-15/h3-7,10,16H,8-9,15H2,1-2H3/b11-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	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
Vascular adhesion protein 1 (VAP-1) (Rattus norvegicus (Rat))	BDBM220882 (US9302986, 33) Show SMILES CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1 Show InChI InChI=1S/C13H19FN2O3S/c1-10(2)16-20(17,18)13-5-3-12(4-6-13)19-9-11(7-14)8-15/h3-7,10,16H,8-9,15H2,1-2H3/b11-7-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+5	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
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM220882 (US9302986, 33) Show SMILES CC(C)NS(=O)(=O)c1ccc(OC\C(CN)=C/F)cc1 Show InChI InChI=1S/C13H19FN2O3S/c1-10(2)16-20(17,18)13-5-3-12(4-6-13)19-9-11(7-14)8-15/h3-7,10,16H,8-9,15H2,1-2H3/b11-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+5	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