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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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50268086   
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))
BDBM50268086
PNG
(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/an/a 45n/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 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