BDBM50205325 CHEMBL3915581

SMILES: Cl.NCC(=O)N1Cc2ccc(cc2C1)-c1ccc(cc1)N1CCOCC1

InChI Key: InChIKey=OMBLDPZKXZNIOG-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 = 50205325   

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))	BDBM50205325 (CHEMBL3915581) Show SMILES Cl.NCC(=O)N1Cc2ccc(cc2C1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C20H23N3O2/c21-12-20(24)23-13-17-2-1-16(11-18(17)14-23)15-3-5-19(6-4-15)22-7-9-25-10-8-22/h1-6,11H,7-10,12-14,21H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.00E+3	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