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SMILES: CN(CC#C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C

InChI Key: InChIKey=VMPZMPSWNNVJNP-UHFFFAOYSA-N

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 = 50069809   
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] A


(Homo sapiens (Human))
BDBM50069809
PNG
(CHEMBL3407590)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C
Show InChI InChI=1S/C27H28N4O3/c1-6-14-30(4)17-21-15-20-16-22(10-11-24(20)31(21)5)33-18-19-9-12-25(34-27(32)29(2)3)26-23(19)8-7-13-28-26/h1,7-13,15-16H,14,17-18H2,2-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.11E+5n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50069809
PNG
(CHEMBL3407590)
Show SMILES CN(CC#C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C
Show InChI InChI=1S/C27H28N4O3/c1-6-14-30(4)17-21-15-20-16-22(10-11-24(20)31(21)5)33-18-19-9-12-25(34-27(32)29(2)3)26-23(19)8-7-13-28-26/h1,7-13,15-16H,14,17-18H2,2-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.73E+5n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair