BDBM50384096 CHEMBL2029535

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

InChI Key: InChIKey=FCYOQNRECMAIAJ-XYOKQWHBSA-N

Data: 3 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 3 hits for monomerid = 50384096   

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
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM50384096 (CHEMBL2029535) Show SMILES CC(C)(C)c1ccc(OC\C(F)=C/CN)cc1 Show InChI InChI=1S/C14H20FNO/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(15)8-9-16/h4-8H,9-10,16H2,1-3H3/b12-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50384096 (CHEMBL2029535) Show SMILES CC(C)(C)c1ccc(OC\C(F)=C/CN)cc1 Show InChI InChI=1S/C14H20FNO/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(15)8-9-16/h4-8H,9-10,16H2,1-3H3/b12-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+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-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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50384096 (CHEMBL2029535) Show SMILES CC(C)(C)c1ccc(OC\C(F)=C/CN)cc1 Show InChI InChI=1S/C14H20FNO/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(15)8-9-16/h4-8H,9-10,16H2,1-3H3/b12-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	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