BDBM228087 US9556160, ex 316

SMILES: COC1CN(C1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F

InChI Key: InChIKey=XETTUYCLEODBPX-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 = 228087   

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))	BDBM228087 (US9556160, ex 316) Show SMILES COC1CN(C1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F Show InChI InChI=1S/C22H28FN7O3/c1-32-17-12-30(13-17)22-26-10-16(11-27-22)28-5-7-29(8-6-28)18-4-2-3-15(21(18)23)14-33-20(31)9-19(24)25/h2-4,10-11,17H,5-9,12-14H2,1H3,(H3,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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))	BDBM228087 (US9556160, ex 316) Show SMILES COC1CN(C1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F Show InChI InChI=1S/C22H28FN7O3/c1-32-17-12-30(13-17)22-26-10-16(11-27-22)28-5-7-29(8-6-28)18-4-2-3-15(21(18)23)14-33-20(31)9-19(24)25/h2-4,10-11,17H,5-9,12-14H2,1H3,(H3,24,25)	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