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BDBM50288982 Benzyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methylimino]-1,2,3,4-tetrahydro-cyclopenta[b]indol-7-yl ester::CHEMBL156630

SMILES: CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21

InChI Key: InChIKey=YRMPTPZWCQVVTR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50288982   
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))
BDBM50288982
PNG
(Benzyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methy...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 |w:1.0|
Show InChI InChI=1S/C21H20BrN3O2/c1-23-15-9-8-14-18-16(25(2)20(14)15)10-11-17(19(18)22)27-21(26)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-B(MAO-B).


Bioorg Med Chem Lett 6: 625-630 (1996)


Article DOI: 10.1016/0960-894X(96)00072-8
BindingDB Entry DOI: 10.7270/Q22J6BVC
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50288982
PNG
(Benzyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methy...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 |w:1.0|
Show InChI InChI=1S/C21H20BrN3O2/c1-23-15-9-8-14-18-16(25(2)20(14)15)10-11-17(19(18)22)27-21(26)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 4.19E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Bioorg Med Chem Lett 6: 625-630 (1996)


Article DOI: 10.1016/0960-894X(96)00072-8
BindingDB Entry DOI: 10.7270/Q22J6BVC
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50288982
PNG
(Benzyl-carbamic acid 8-bromo-4-methyl-3-[(Z)-methy...)
Show SMILES CN=C1CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 |w:1.0|
Show InChI InChI=1S/C21H20BrN3O2/c1-23-15-9-8-14-18-16(25(2)20(14)15)10-11-17(19(18)22)27-21(26)24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 5.47E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of monoamine oxidase-A(MAO-A).


Bioorg Med Chem Lett 6: 625-630 (1996)


Article DOI: 10.1016/0960-894X(96)00072-8
BindingDB Entry DOI: 10.7270/Q22J6BVC
More data for this
Ligand-Target Pair