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SMILES: COCc1cc(ccn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F

InChI Key: InChIKey=WHMLQQLTWPGSGH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228105   

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 (Rattus norvegicus (Rat))	BDBM228105 (US9556160, ex 566) Show SMILES COCc1cc(ccn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F Show InChI InChI=1S/C21H26FN5O3/c1-29-14-16-11-17(5-6-25-16)26-7-9-27(10-8-26)18-4-2-3-15(21(18)22)13-30-20(28)12-19(23)24/h2-6,11H,7-10,12-14H2,1H3,(H3,23,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...				US Patent US9556160 (2017) BindingDB Entry DOI: 10.7270/Q2KP845Q
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM228105 (US9556160, ex 566) Show SMILES COCc1cc(ccn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F Show InChI InChI=1S/C21H26FN5O3/c1-29-14-16-11-17(5-6-25-16)26-7-9-27(10-8-26)18-4-2-3-15(21(18)22)13-30-20(28)12-19(23)24/h2-6,11H,7-10,12-14H2,1H3,(H3,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	25
Astellas Pharma Inc. US Patent					Assay Description A human VAP-1 enzyme (SSAO) (reference: J Exp Med. 1998 Jul. 6; 188(1): 17 to 27) activity was measured by a radiochemistry-enzymatic assay using 14C...				US Patent US9556160 (2017) BindingDB Entry DOI: 10.7270/Q2KP845Q
					More data for this Ligand-Target Pair