BDBM50205333 CHEMBL3960949

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1)C(=O)CN

InChI Key: InChIKey=WIQOHJQIXRMMHT-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 = 50205333   

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))	BDBM50205333 (CHEMBL3960949) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1)C(=O)CN |r| Show InChI InChI=1S/C21H28N4O/c1-23-10-12-25(13-11-23)20-8-6-18(7-9-20)19-5-3-4-17(14-19)16-24(2)21(26)15-22/h3-9,14H,10-13,15-16,22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	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