BDBM50262694 CHEMBL4103619

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1

InChI Key: InChIKey=CWAXYGNWILKWPM-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 = 50262694   

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))	BDBM50262694 (CHEMBL4103619) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)Cc1cccc(c1)-c1cnc(nc1)N1CCOCC1 |r| Show InChI InChI=1S/C17H20N6O2/c18-16(19)22-15(24)9-12-2-1-3-13(8-12)14-10-20-17(21-11-14)23-4-6-25-7-5-23/h1-3,8,10-11H,4-7,9H2,(H4,18,19,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...				Bioorg Med Chem 25: 6024-6038 (2017) Article DOI: 10.1016/j.bmc.2017.09.036 BindingDB Entry DOI: 10.7270/Q2B27XR3
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