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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vascular adhesion protein 1 (VAP-1)' and Ligand = 'BDBM228078'   
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
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228078
PNG
(US9556160, ex 118)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2cnc(nc2)N2CC[C@@H](F)C2)c1F
Show InChI InChI=1/C22H27F2N7O2/c23-16-4-5-31(13-16)22-27-11-17(12-28-22)29-6-8-30(9-7-29)18-3-1-2-15(21(18)24)14-33-20(32)10-19(25)26/h1-3,11-12,16H,4-10,13-14H2,(H3,25,26)/t16-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM228078
PNG
(US9556160, ex 118)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2cnc(nc2)N2CC[C@@H](F)C2)c1F
Show InChI InChI=1/C22H27F2N7O2/c23-16-4-5-31(13-16)22-27-11-17(12-28-22)29-6-8-30(9-7-29)18-3-1-2-15(21(18)24)14-33-20(32)10-19(25)26/h1-3,11-12,16H,4-10,13-14H2,(H3,25,26)/t16-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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