BDBM220861 US9302986, 4

SMILES: CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(F)c1

InChI Key: InChIKey=VKFZNQUOMMWPRQ-TWGQIWQCSA-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 = 220861   

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))	BDBM220861 (US9302986, 4) Show SMILES CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(F)c1 Show InChI InChI=1S/C13H16F2N2O2/c1-17(2)13(18)10-3-4-12(11(15)5-10)19-8-9(6-14)7-16/h3-6H,7-8,16H2,1-2H3/b9-6-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	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))	BDBM220861 (US9302986, 4) Show SMILES CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(F)c1 Show InChI InChI=1S/C13H16F2N2O2/c1-17(2)13(18)10-3-4-12(11(15)5-10)19-8-9(6-14)7-16/h3-6H,7-8,16H2,1-2H3/b9-6-	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))	BDBM220861 (US9302986, 4) Show SMILES CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(F)c1 Show InChI InChI=1S/C13H16F2N2O2/c1-17(2)13(18)10-3-4-12(11(15)5-10)19-8-9(6-14)7-16/h3-6H,7-8,16H2,1-2H3/b9-6-	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))	BDBM220861 (US9302986, 4) Show SMILES CN(C)C(=O)c1ccc(OC\C(CN)=C/F)c(F)c1 Show InChI InChI=1S/C13H16F2N2O2/c1-17(2)13(18)10-3-4-12(11(15)5-10)19-8-9(6-14)7-16/h3-6H,7-8,16H2,1-2H3/b9-6-	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