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BDBM50232426 CHEMBL4089754

SMILES: Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1

InChI Key: InChIKey=BAPSXXUHQQELCY-UHFFFAOYSA-N

Data: 1 KI  5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50232426   
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))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.69E+3n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOA in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOB inhibitor selegili...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 562n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB in Sprague-Dawley rat liver mitochondria using p-tyramine as substrate measured for 45 mins in presence of MAOA inhibitor clorgyli...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50232426
PNG
(CHEMBL4089754)
Show SMILES Cn1cc2cc(ccc2n1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H11ClFN3O/c1-20-8-10-6-9(2-5-14(10)19-20)15(21)18-11-3-4-13(17)12(16)7-11/h2-8H,1H3,(H,18,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



NTZ Lab Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus-infected BTI insect cells using p-tyramine as substrate measured for 45 mins in presenc...


Eur J Med Chem 127: 470-492 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.011
More data for this
Ligand-Target Pair