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BDBM50087800 (5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amine::CHEMBL45069

SMILES: C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1

InChI Key: InChIKey=YFPNAYXYKXAKJC-UHFFFAOYSA-N

Data: 2 KI  4 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 = 50087800   
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 Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.75n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
790n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat MAO-A in rat-liver mitochondrial-fraction using [14C]-5-HT substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 287n/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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat MAO-B in rat-liver mitochondrial-fraction using [14C]-PEA substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair