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BDBM60973 (2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride::(2R)-1-(isopropylamino)-3-(1-naphthoxy)propan-2-ol;hydrochloride::(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride::(R)-(+)-Propranolol hydrochloride::MLS001333595::SMR000875288::cid_66366

SMILES: CC(C)NC[C@@H](O)COc1cccc2ccccc12

InChI Key: InChIKey=AQHHHDLHHXJYJD-CQSZACIVSA-N

Data: 1 KI  1 IC50  2 Kd

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 = 60973   
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
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM60973
PNG
((2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-...)
Show SMILES CC(C)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
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PC cid
PC sid
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Article
PubMed
1.45E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes


J Med Chem 51: 5552-65 (2008)


Article DOI: 10.1021/jm800151n
BindingDB Entry DOI: 10.7270/Q24T6N5H
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM60973
PNG
((2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-...)
Show SMILES CC(C)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
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n/an/an/a 0.890n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)


BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM60973
PNG
((2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-...)
Show SMILES CC(C)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
PDB

KEGG

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antibodypedia
antibodypedia
antibodypedia
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...


J Med Chem 28: 381-8 (1985)


BindingDB Entry DOI: 10.7270/Q2Z321T8
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM60973
PNG
((2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-...)
Show SMILES CC(C)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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KEGG
PC cid
PC sid
UniChem

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PubMed
n/an/an/a 0.891n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)


BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair