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SMILES: Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1

InChI Key: InChIKey=QOECKRKOTZOPSW-GRTNUQQKSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50155765   
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
REST corepressor 1 [4-485]


(Homo sapiens (Human))
BDBM50155765
PNG
(CHEMBL3781329)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1 |r|
Show InChI InChI=1S/C20H23N3O2.ClH/c21-19-13-18(19)14-1-5-16(6-2-14)22-20(24)15-3-7-17(8-4-15)23-9-11-25-12-10-23;/h1-8,18-19H,9-13,21H2,(H,22,24);1H/t18-,19+;/m0./s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


J Med Chem 59: 1501-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 2


(Homo sapiens (Human))
BDBM50155765
PNG
(CHEMBL3781329)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1 |r|
Show InChI InChI=1S/C20H23N3O2.ClH/c21-19-13-18(19)14-1-5-16(6-2-14)22-20(24)15-3-7-17(8-4-15)23-9-11-25-12-10-23;/h1-8,18-19H,9-13,21H2,(H,22,24);1H/t18-,19+;/m0./s1
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 7.47E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of KDM1B (unknown origin)


J Med Chem 59: 1501-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155765
PNG
(CHEMBL3781329)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1 |r|
Show InChI InChI=1S/C20H23N3O2.ClH/c21-19-13-18(19)14-1-5-16(6-2-14)22-20(24)15-3-7-17(8-4-15)23-9-11-25-12-10-23;/h1-8,18-19H,9-13,21H2,(H,22,24);1H/t18-,19+;/m0./s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay


J Med Chem 59: 1501-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155765
PNG
(CHEMBL3781329)
Show SMILES Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(cc2)N2CCOCC2)cc1 |r|
Show InChI InChI=1S/C20H23N3O2.ClH/c21-19-13-18(19)14-1-5-16(6-2-14)22-20(24)15-3-7-17(8-4-15)23-9-11-25-12-10-23;/h1-8,18-19H,9-13,21H2,(H,22,24);1H/t18-,19+;/m0./s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay


J Med Chem 59: 1501-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767
More data for this
Ligand-Target Pair