BDBM228090 US9556160, ex 551

SMILES: CCC(=O)N1CCC(CC1)OC1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F

InChI Key: InChIKey=VLHCZUGXLHSMBF-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 = 228090   

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))	BDBM228090 (US9556160, ex 551) Show SMILES CCC(=O)N1CCC(CC1)OC1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F Show InChI InChI=1S/C21H29FN4O4/c1-2-19(27)25-8-6-15(7-9-25)30-16-11-26(12-16)17-5-3-4-14(21(17)22)13-29-20(28)10-18(23)24/h3-5,15-16H,2,6-13H2,1H3,(H3,23,24)	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
Vascular adhesion protein 1 (VAP-1) (Homo sapiens (Human))	BDBM228090 (US9556160, ex 551) Show SMILES CCC(=O)N1CCC(CC1)OC1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F Show InChI InChI=1S/C21H29FN4O4/c1-2-19(27)25-8-6-15(7-9-25)30-16-11-26(12-16)17-5-3-4-14(21(17)22)13-29-20(28)10-18(23)24/h3-5,15-16H,2,6-13H2,1H3,(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	14	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