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BDBM50262703 CHEMBL4059565

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1cccc(c1)N1CCN(CC1)C1CCOCC1

InChI Key: InChIKey=AZAYHUJYJVCASS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50262703   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))		BDBM50262703
PNG
(CHEMBL4059565)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1cccc(c1)N1CCN(CC1)C1CCOCC1 |r|
Show InChI InChI=1S/C18H27N5O3/c19-17(20)21-18(24)26-13-14-2-1-3-16(12-14)23-8-6-22(7-9-23)15-4-10-25-11-5-15/h1-3,12,15H,4-11,13H2,(H4,19,20,21,24)
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Article
PubMed
n/an/a 110n/an/an/an/an/an/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
More data for this
Ligand-Target Pair