BDBM228073 US9556160, ex 74

SMILES: NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(OCC2CCN(CC2)C(=O)C2CC2)nc1

InChI Key: InChIKey=VMEGJOLGMHSJGI-UHFFFAOYSA-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 = 228073   

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))	BDBM228073 (US9556160, ex 74) Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(OCC2CCN(CC2)C(=O)C2CC2)nc1 Show InChI InChI=1S/C24H28FN5O4/c25-22-17(14-33-21(31)10-20(26)27)2-1-3-19(22)18-11-28-24(29-12-18)34-13-15-6-8-30(9-7-15)23(32)16-4-5-16/h1-3,11-12,15-16H,4-10,13-14H2,(H3,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	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))	BDBM228073 (US9556160, ex 74) Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(OCC2CCN(CC2)C(=O)C2CC2)nc1 Show InChI InChI=1S/C24H28FN5O4/c25-22-17(14-33-21(31)10-20(26)27)2-1-3-19(22)18-11-28-24(29-12-18)34-13-15-6-8-30(9-7-15)23(32)16-4-5-16/h1-3,11-12,15-16H,4-10,13-14H2,(H3,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	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