BDBM50268086 CHEMBL4082458

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCC(CCO)CC1

InChI Key: InChIKey=MILIRBHHQYRLPE-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 = 50268086   

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))	BDBM50268086 (CHEMBL4082458) Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCC(CCO)CC1 |r| Show InChI InChI=1S/C21H29N5O2/c1-25(15-20(22)28)14-17-3-2-4-18(11-17)19-12-23-21(24-13-19)26-8-5-16(6-9-26)7-10-27/h2-4,11-13,16,27H,5-10,14-15H2,1H3,(H2,22,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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 using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 4110-4122 (2017) Article DOI: 10.1016/j.bmc.2017.05.059 BindingDB Entry DOI: 10.7270/Q21Z46W7
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