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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Membrane primary amine oxidase' and Ligand = 'BDBM228081'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM228081
PNG
(US9556160, ex 178)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1)-c1cnc(nc1)N1CC[C@H](F)C1 |r|
Show InChI InChI=1S/C18H20FN5O2/c19-15-4-5-24(10-15)18-22-8-14(9-23-18)13-3-1-2-12(6-13)11-26-17(25)7-16(20)21/h1-3,6,8-9,15H,4-5,7,10-11H2,(H3,20,21)/t15-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM228081
PNG
(US9556160, ex 178)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1)-c1cnc(nc1)N1CC[C@H](F)C1 |r|
Show InChI InChI=1S/C18H20FN5O2/c19-15-4-5-24(10-15)18-22-8-14(9-23-18)13-3-1-2-12(6-13)11-26-17(25)7-16(20)21/h1-3,6,8-9,15H,4-5,7,10-11H2,(H3,20,21)/t15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) (reference: J Exp Med. 1998 Jul. 6; 188(1): 17 to 27) activity was measured by a radiochemistry-enzymatic assay using 14C...


US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair