BDBM220864 US9302986, 8

SMILES: CN(C)C(=O)c1ccc(SCC(CN)=CF)cc1

InChI Key: InChIKey=PEKJZDMDQTYGPU-JXMROGBWSA-N

Data: 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 2 hits for monomerid = 220864   

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
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM220864 (US9302986, 8) Show SMILES CN(C)C(=O)c1ccc(SCC(CN)=CF)cc1 |w:14.14| Show InChI InChI=1S/C13H17FN2OS/c1-16(2)13(17)11-3-5-12(6-4-11)18-9-10(7-14)8-15/h3-7H,8-9,15H2,1-2H3/b10-7+	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM220864 (US9302986, 8) Show SMILES CN(C)C(=O)c1ccc(SCC(CN)=CF)cc1 |w:14.14| Show InChI InChI=1S/C13H17FN2OS/c1-16(2)13(17)11-3-5-12(6-4-11)18-9-10(7-14)8-15/h3-7H,8-9,15H2,1-2H3/b10-7+	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 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