BDBM50205332 CHEMBL3913195

SMILES: Cl.CN(Cc1cccc(c1)-c1ccc(NC(C)=O)cc1)C(=O)CN

InChI Key: InChIKey=RNONPWSPJFXTTB-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 = 50205332   

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))	BDBM50205332 (CHEMBL3913195) Show SMILES Cl.CN(Cc1cccc(c1)-c1ccc(NC(C)=O)cc1)C(=O)CN Show InChI InChI=1S/C18H21N3O2/c1-13(22)20-17-8-6-15(7-9-17)16-5-3-4-14(10-16)12-21(2)18(23)11-19/h3-10H,11-12,19H2,1-2H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	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