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2 similar compounds to monomer 50001913

Compile data set for download or QSAR
Wt: 254.3
BDBM50303652
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Wt: 234.3
BDBM50386546
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50303652,50386546   
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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50386546
PNG
(CHEMBL449920)
Show SMILES CCCN1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-4-6-14(17-2)7-5-13/h4-7H,3,8-12H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.41E+3n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro 41-1049 from MAO-A receptor in rat cerebral cortex


J Med Chem 55: 3242-9 (2012)


Article DOI: 10.1021/jm201692d
BindingDB Entry DOI: 10.7270/Q2DN4637
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50386546
PNG
(CHEMBL449920)
Show SMILES CCCN1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-4-6-14(17-2)7-5-13/h4-7H,3,8-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.40E+3n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site expressed in HEK293 cells


Eur J Med Chem 62: 241-55 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.031
BindingDB Entry DOI: 10.7270/Q27082RH
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50386546
PNG
(CHEMBL449920)
Show SMILES CCCN1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-4-6-14(17-2)7-5-13/h4-7H,3,8-12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.89E+5n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro 16-6491 from MAO-B receptor in rat cerebral cortex


J Med Chem 55: 3242-9 (2012)


Article DOI: 10.1021/jm201692d
BindingDB Entry DOI: 10.7270/Q2DN4637
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
BDBM50303652
PNG
(1-(4-Phenoxyphenyl)piperazine | CHEMBL576512)
Show SMILES C1CN(CCN1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H18N2O/c1-2-4-15(5-3-1)19-16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS


J Med Chem 53: 573-85 (2010)

Checked by Author
Article DOI: 10.1021/jm900838g
BindingDB Entry DOI: 10.7270/Q22F7NJD
More data for this
Ligand-Target Pair