BDBM228089 US9556160, ex 335

SMILES: NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(nc1)N1CCN(CC1)c1ccc(CCC(O)=O)cc1

InChI Key: InChIKey=NOIMGYKJHLURDO-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 = 228089   

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) (Rattus norvegicus (Rat))	BDBM228089 (US9556160, ex 335) Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(nc1)N1CCN(CC1)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C27H29FN6O4/c28-26-19(17-38-25(37)14-23(29)30)2-1-3-22(26)20-15-31-27(32-16-20)34-12-10-33(11-13-34)21-7-4-18(5-8-21)6-9-24(35)36/h1-5,7-8,15-16H,6,9-14,17H2,(H3,29,30)(H,35,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM228089 (US9556160, ex 335) Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(nc1)N1CCN(CC1)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C27H29FN6O4/c28-26-19(17-38-25(37)14-23(29)30)2-1-3-22(26)20-15-31-27(32-16-20)34-12-10-33(11-13-34)21-7-4-18(5-8-21)6-9-24(35)36/h1-5,7-8,15-16H,6,9-14,17H2,(H3,29,30)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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