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BDBM50262739 CHEMBL4068948

SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1cccc(N2CCN(CC2)c2cccnc2)c1F

InChI Key: InChIKey=SLLWMGIAPYENKX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50262739   
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))		BDBM50262739
PNG
(CHEMBL4068948)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1cccc(N2CCN(CC2)c2cccnc2)c1F |r|
Show InChI InChI=1S/C18H21FN6O2/c19-16-13(12-27-18(26)23-17(20)21)3-1-5-15(16)25-9-7-24(8-10-25)14-4-2-6-22-11-14/h1-6,11H,7-10,12H2,(H4,20,21,23,26)
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Article
PubMed
n/an/a 17n/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