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BDBM50048575 (5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine::CHEMBL155211

SMILES: CCCN(c1ccncc1)n1ccc2cc(OC)ccc12

InChI Key: InChIKey=SYFFAEMYTWTOCA-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 50048575   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50048575
PNG
((5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine |...)
Show SMILES CCCN(c1ccncc1)n1ccc2cc(OC)ccc12
Show InChI InChI=1S/C17H19N3O/c1-3-11-19(15-6-9-18-10-7-15)20-12-8-14-13-16(21-2)4-5-17(14)20/h4-10,12-13H,3,11H2,1-2H3
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PC cid
PC sid
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Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synaptosome preparation


J Med Chem 39: 570-81 (1996)


Article DOI: 10.1021/jm9506433
BindingDB Entry DOI: 10.7270/Q2BR8R7K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50048575
PNG
((5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine |...)
Show SMILES CCCN(c1ccncc1)n1ccc2cc(OC)ccc12
Show InChI InChI=1S/C17H19N3O/c1-3-11-19(15-6-9-18-10-7-15)20-12-8-14-13-16(21-2)4-5-17(14)20/h4-10,12-13H,3,11H2,1-2H3
PDB
MMDB

NCI pathway
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Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the presence of Zn


J Med Chem 39: 570-81 (1996)


Article DOI: 10.1021/jm9506433
BindingDB Entry DOI: 10.7270/Q2BR8R7K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50048575
PNG
((5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine |...)
Show SMILES CCCN(c1ccncc1)n1ccc2cc(OC)ccc12
Show InChI InChI=1S/C17H19N3O/c1-3-11-19(15-6-9-18-10-7-15)20-12-8-14-13-16(21-2)4-5-17(14)20/h4-10,12-13H,3,11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the absence of Zn


J Med Chem 39: 570-81 (1996)


Article DOI: 10.1021/jm9506433
BindingDB Entry DOI: 10.7270/Q2BR8R7K
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50048575
PNG
((5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine |...)
Show SMILES CCCN(c1ccncc1)n1ccc2cc(OC)ccc12
Show InChI InChI=1S/C17H19N3O/c1-3-11-19(15-6-9-18-10-7-15)20-12-8-14-13-16(21-2)4-5-17(14)20/h4-10,12-13H,3,11H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase in rat striatal preparation


J Med Chem 39: 570-81 (1996)


Article DOI: 10.1021/jm9506433
BindingDB Entry DOI: 10.7270/Q2BR8R7K
More data for this
Ligand-Target Pair