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PubMed code 1433183

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003149
PNG
(CHEMBL542465 | Methyl-(1-methyl-undecyl)-prop-2-yn...)
Show SMILES CCCCCCCCCCC(C)N(C)CC#C
Show InChI InChI=1S/C16H31N/c1-5-7-8-9-10-11-12-13-14-16(3)17(4)15-6-2/h2,16H,5,7-15H2,1,3-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 39n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 52n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003144
PNG
(CHEMBL541079 | Methyl-(1-methyl-pentyl)-prop-2-yny...)
Show SMILES CCCCC(C)N(C)CC#C
Show InChI InChI=1S/C10H19N/c1-5-7-8-10(3)11(4)9-6-2/h2,10H,5,7-9H2,1,3-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 82n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003138
PNG
(CHEMBL542711 | Methyl-(1-methyl-nonyl)-prop-2-ynyl...)
Show SMILES CCCCCCCCC(C)N(C)CC#C
Show InChI InChI=1S/C14H27N/c1-5-7-8-9-10-11-12-14(3)15(4)13-6-2/h2,14H,5,7-13H2,1,3-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003148
PNG
(CHEMBL545754 | Methyl-(1-methyl-butyl)-prop-2-ynyl...)
Show SMILES CCCC(C)N(C)CC#C
Show InChI InChI=1S/C9H17N/c1-5-7-9(3)10(4)8-6-2/h2,9H,5,7-8H2,1,3-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003141
PNG
((1-Ethyl-propyl)-methyl-prop-2-ynyl-amine; hydroch...)
Show SMILES CCC(CC)N(C)CC#C
Show InChI InChI=1S/C9H17N/c1-5-8-10(4)9(6-2)7-3/h1,9H,6-8H2,2-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003140
PNG
(CHEMBL541325 | Methyl-(1-methyl-hexyl)-prop-2-ynyl...)
Show SMILES CCCCCC(C)N(C)CC#C
Show InChI InChI=1S/C11H21N/c1-5-7-8-9-11(3)12(4)10-6-2/h2,11H,5,7-10H2,1,3-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 210n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003142
PNG
(CHEMBL273540 | Methyl-pentyl-prop-2-ynyl-amine; ox...)
Show SMILES CCCCCN(C)CC#C
Show InChI InChI=1S/C9H17N/c1-4-6-7-9-10(3)8-5-2/h2H,4,6-9H2,1,3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 370n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003139
PNG
(CHEMBL545755 | sec-Butyl-methyl-prop-2-ynyl-amine;...)
Show SMILES CCC(C)N(C)CC#C
Show InChI InChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003143
PNG
(Butyl-methyl-prop-2-ynyl-amine; hydrochloride | CH...)
Show SMILES CCCCN(C)CC#C
Show InChI InChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h2H,4,6-8H2,1,3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003149
PNG
(CHEMBL542465 | Methyl-(1-methyl-undecyl)-prop-2-yn...)
Show SMILES CCCCCCCCCCC(C)N(C)CC#C
Show InChI InChI=1S/C16H31N/c1-5-7-8-9-10-11-12-13-14-16(3)17(4)15-6-2/h2,16H,5,7-15H2,1,3-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003145
PNG
(CHEMBL545521 | Heptyl-methyl-prop-2-ynyl-amine; hy...)
Show SMILES CCCCCCCN(C)CC#C
Show InChI InChI=1S/C11H21N/c1-4-6-7-8-9-11-12(3)10-5-2/h2H,4,6-11H2,1,3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003141
PNG
((1-Ethyl-propyl)-methyl-prop-2-ynyl-amine; hydroch...)
Show SMILES CCC(CC)N(C)CC#C
Show InChI InChI=1S/C9H17N/c1-5-8-10(4)9(6-2)7-3/h1,9H,6-8H2,2-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003138
PNG
(CHEMBL542711 | Methyl-(1-methyl-nonyl)-prop-2-ynyl...)
Show SMILES CCCCCCCCC(C)N(C)CC#C
Show InChI InChI=1S/C14H27N/c1-5-7-8-9-10-11-12-14(3)15(4)13-6-2/h2,14H,5,7-13H2,1,3-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003148
PNG
(CHEMBL545754 | Methyl-(1-methyl-butyl)-prop-2-ynyl...)
Show SMILES CCCC(C)N(C)CC#C
Show InChI InChI=1S/C9H17N/c1-5-7-9(3)10(4)8-6-2/h2,9H,5,7-8H2,1,3-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003140
PNG
(CHEMBL541325 | Methyl-(1-methyl-hexyl)-prop-2-ynyl...)
Show SMILES CCCCCC(C)N(C)CC#C
Show InChI InChI=1S/C11H21N/c1-5-7-8-9-11(3)12(4)10-6-2/h2,11H,5,7-10H2,1,3-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003147
PNG
(CHEMBL543649 | Isopropyl-methyl-prop-2-ynyl-amine;...)
Show SMILES CC(C)N(C)CC#C
Show InChI InChI=1S/C7H13N/c1-5-6-8(4)7(2)3/h1,7H,6H2,2-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003139
PNG
(CHEMBL545755 | sec-Butyl-methyl-prop-2-ynyl-amine;...)
Show SMILES CCC(C)N(C)CC#C
Show InChI InChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003145
PNG
(CHEMBL545521 | Heptyl-methyl-prop-2-ynyl-amine; hy...)
Show SMILES CCCCCCCN(C)CC#C
Show InChI InChI=1S/C11H21N/c1-4-6-7-8-9-11-12(3)10-5-2/h2H,4,6-11H2,1,3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003144
PNG
(CHEMBL541079 | Methyl-(1-methyl-pentyl)-prop-2-yny...)
Show SMILES CCCCC(C)N(C)CC#C
Show InChI InChI=1S/C10H19N/c1-5-7-8-10(3)11(4)9-6-2/h2,10H,5,7-9H2,1,3-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003143
PNG
(Butyl-methyl-prop-2-ynyl-amine; hydrochloride | CH...)
Show SMILES CCCCN(C)CC#C
Show InChI InChI=1S/C8H15N/c1-4-6-8-9(3)7-5-2/h2H,4,6-8H2,1,3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.80E+4n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50003142
PNG
(CHEMBL273540 | Methyl-pentyl-prop-2-ynyl-amine; ox...)
Show SMILES CCCCCN(C)CC#C
Show InChI InChI=1S/C9H17N/c1-4-6-7-9-10(3)8-5-2/h2H,4,6-9H2,1,3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003146
PNG
(6-(Methyl-prop-2-ynyl-amino)-hexan-1-ol; hydrochlo...)
Show SMILES CN(CCCCCCO)CC#C
Show InChI InChI=1S/C10H19NO/c1-3-8-11(2)9-6-4-5-7-10-12/h1,12H,4-10H2,2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50003150
PNG
(5-(Methyl-prop-2-ynyl-amino)-hexan-1-ol; hydrochlo...)
Show SMILES CC(CCCCO)N(C)CC#C
Show InChI InChI=1S/C10H19NO/c1-4-8-11(3)10(2)7-5-6-9-12/h1,10,12H,5-9H2,2-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



University of Saskatchewan

Curated by ChEMBL


Assay Description
Inhibition of Monoamine oxidase B of rat liver mitochondrial membranes


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%