BDBM50205334 CHEMBL3942461

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1)C(=O)C(C)(C)N

InChI Key: InChIKey=ILVVBRACIHIRHS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50205334   

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) (Homo sapiens (Human))	BDBM50205334 (CHEMBL3942461) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1)C(=O)C(C)(C)N |r| Show InChI InChI=1S/C22H29N3O2/c1-22(2,23)21(26)24(3)16-17-5-4-6-19(15-17)18-7-9-20(10-8-18)25-11-13-27-14-12-25/h4-10,15H,11-14,16,23H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 187-201 (2017) Article DOI: 10.1016/j.bmc.2016.10.025 BindingDB Entry DOI: 10.7270/Q2XW4MS7
					More data for this Ligand-Target Pair