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BDBM50105416 CHEMBL328551::N-((E)-3-Phenyl-allyl)-N-prop-2-ynyl-hydrazine

SMILES: NN(C\C=C\c1ccccc1)CC#C

InChI Key: InChIKey=TWLCPZOKHROBDM-RMKNXTFCSA-N

Data: 2 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 2 hits for monomerid = 50105416   
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))
BDBM50105416
PNG
(CHEMBL328551 | N-((E)-3-Phenyl-allyl)-N-prop-2-yny...)
Show SMILES NN(C\C=C\c1ccccc1)CC#C
Show InChI InChI=1S/C12H14N2/c1-2-10-14(13)11-6-9-12-7-4-3-5-8-12/h1,3-9H,10-11,13H2/b9-6+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



CV Technologies Inc.

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit Monoamine oxidase A activity in rat whole brain in vitro


Bioorg Med Chem Lett 11: 2715-7 (2001)


BindingDB Entry DOI: 10.7270/Q2Z60NC5
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50105416
PNG
(CHEMBL328551 | N-((E)-3-Phenyl-allyl)-N-prop-2-yny...)
Show SMILES NN(C\C=C\c1ccccc1)CC#C
Show InChI InChI=1S/C12H14N2/c1-2-10-14(13)11-6-9-12-7-4-3-5-8-12/h1,3-9H,10-11,13H2/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.53E+3n/an/an/an/an/an/a



CV Technologies Inc.

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit Monoamine oxidase B activity in rat whole brain in vitro


Bioorg Med Chem Lett 11: 2715-7 (2001)


BindingDB Entry DOI: 10.7270/Q2Z60NC5
More data for this
Ligand-Target Pair