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BDBM50268066 CHEMBL4071971

SMILES: Cl.Cl.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCC[C@H]1CO

InChI Key: InChIKey=BFILLIIJBSZIRD-RMRYJAPISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50268066   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50268066
PNG
(CHEMBL4071971)
Show SMILES Cl.Cl.CN(CC(N)=O)Cc1cccc(c1)-c1cnc(nc1)N1CCC[C@H]1CO
Show InChI InChI=1S/C19H25N5O2.2ClH/c1-23(12-18(20)26)11-14-4-2-5-15(8-14)16-9-21-19(22-10-16)24-7-3-6-17(24)13-25;;/h2,4-5,8-10,17,25H,3,6-7,11-13H2,1H3,(H2,20,26);2*1H/t17-;;/m0../s1
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MMDB

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Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/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: 4110-4122 (2017)


Article DOI: 10.1016/j.bmc.2017.05.059
BindingDB Entry DOI: 10.7270/Q21Z46W7
More data for this
Ligand-Target Pair