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2 similar compounds to monomer 24778

Compile data set for download or QSAR
Wt: 248.2
BDBM50012696
Wt: 200.2
BDBM50359639

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50012696,50359639   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50359639
PNG
(CHEMBL1928855)
Show SMILES CC1=C(C)C(=O)c2cc(C)ccc2C1=O
Show InChI InChI=1S/C13H12O2/c1-7-4-5-10-11(6-7)13(15)9(3)8(2)12(10)14/h4-6H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Federal University of Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAO-B


Bioorg Med Chem 19: 7416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.10.049
BindingDB Entry DOI: 10.7270/Q2571CFB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50359639
PNG
(CHEMBL1928855)
Show SMILES CC1=C(C)C(=O)c2cc(C)ccc2C1=O
Show InChI InChI=1S/C13H12O2/c1-7-4-5-10-11(6-7)13(15)9(3)8(2)12(10)14/h4-6H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.00E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human gastrointestinal mitochondria MAO-A using 1-methyl-4-(1-methylpyrrol-2-yl)-1,2,3,6-tetrahydropyridine as substrate after 30 mins ...


Eur J Med Chem 135: 196-203 (2017)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50359639
PNG
(CHEMBL1928855)
Show SMILES CC1=C(C)C(=O)c2cc(C)ccc2C1=O
Show InChI InChI=1S/C13H12O2/c1-7-4-5-10-11(6-7)13(15)9(3)8(2)12(10)14/h4-6H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Federal University of Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of human MAO-A


Bioorg Med Chem 19: 7416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.10.049
BindingDB Entry DOI: 10.7270/Q2571CFB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50359639
PNG
(CHEMBL1928855)
Show SMILES CC1=C(C)C(=O)c2cc(C)ccc2C1=O
Show InChI InChI=1S/C13H12O2/c1-7-4-5-10-11(6-7)13(15)9(3)8(2)12(10)14/h4-6H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.00E+3n/an/an/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of human liver mitochondria MAO-B using 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine as substrate after 15 mins by spectrophotometric anal...


Eur J Med Chem 135: 196-203 (2017)

More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50012696
PNG
(2-Benzyl-[1,4]naphthoquinone | CHEMBL122058)
Show SMILES O=C1C=C(Cc2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C17H12O2/c18-16-11-13(10-12-6-2-1-3-7-12)17(19)15-9-5-4-8-14(15)16/h1-9,11H,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



E. I. du Pont de Nemours and Company, Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic enzyme from the rat basophilic leukemia (RBL-1) cell line


J Med Chem 33: 360-70 (1990)


Article DOI: 10.1021/jm00163a058
BindingDB Entry DOI: 10.7270/Q2513ZSJ
More data for this
Ligand-Target Pair