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18 similar compounds to monomer 25761

Compile data set for download or QSAR
Wt: 260.3
BDBM36108
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Wt: 260.3
BDBM36109
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Wt: 259.3
BDBM60973
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Wt: 273.3
BDBM81886
Wt: 301.4
BDBM50016914
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Wt: 243.3
BDBM50061966
Wt: 265.3
BDBM50169814
Wt: 223.3
BDBM50169816
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Wt: 209.2
BDBM50169785
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Wt: 273.3
BDBM50169791
Wt: 289.3
BDBM50169805
Wt: 259.3
BDBM50246936
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Wt: 283.3
BDBM50406701
Wt: 259.3
BDBM50405632
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Wt: 223.3
BDBM50405634
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 56 hits for monomerid = 36108,36109,60973,81886,50016914,50061966,50169814,50169816,50169785,50169791,50169805,50246936,50406701,50405632,50405634   
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
ADRB2


(Rattus norvegicus)
BDBM81886
PNG
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Show SMILES CC(C)CNCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3
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2.45n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)


BindingDB Entry DOI: 10.7270/Q2H41PXD
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM81886
PNG
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Show SMILES CC(C)CNCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3
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2.82n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)


BindingDB Entry DOI: 10.7270/Q2H41PXD
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat striatal membrane homogenate using [3H]5-HT as the radioligand.


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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55n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM81886
PNG
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Show SMILES CC(C)CNCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3
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56.2n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)


BindingDB Entry DOI: 10.7270/Q2H41PXD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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115n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a ra...


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016914
PNG
(1-Dipropylamino-3-(naphthalen-1-yloxy)-propan-2-ol...)
Show SMILES CCCN(CCC)CC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C19H27NO2/c1-3-12-20(13-4-2)14-17(21)15-22-19-11-7-9-16-8-5-6-10-18(16)19/h5-11,17,21H,3-4,12-15H2,1-2H3
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1.33E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 2 receptor in rat frontal cortical membranes by [3H]- KET displacement.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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4.10E+3n/an/an/an/an/an/an/an/a



Medical College of Virginia/Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity to the human recombinant 5-hydroxytryptamine 1B receptor


J Med Chem 40: 4415-9 (1998)


Article DOI: 10.1021/jm970507t
BindingDB Entry DOI: 10.7270/Q2Z038TH
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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5.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50061966
PNG
(CHEMBL139737 | Isopropyl-[3-(naphthalen-1-yloxy)-p...)
Show SMILES CC(C)NCCCOc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO/c1-13(2)17-11-6-12-18-16-10-5-8-14-7-3-4-9-15(14)16/h3-5,7-10,13,17H,6,11-12H2,1-2H3
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7.66E+3n/an/an/an/an/an/an/an/a



Medical College of Virginia/Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity to the human recombinant 5-hydroxytryptamine 1B receptor


J Med Chem 40: 4415-9 (1998)


Article DOI: 10.1021/jm970507t
BindingDB Entry DOI: 10.7270/Q2Z038TH
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50016914
PNG
(1-Dipropylamino-3-(naphthalen-1-yloxy)-propan-2-ol...)
Show SMILES CCCN(CCC)CC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C19H27NO2/c1-3-12-20(13-4-2)14-17(21)15-22-19-11-7-9-16-8-5-6-10-18(16)19/h5-11,17,21H,3-4,12-15H2,1-2H3
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8.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat striatal membrane homogenate using [3H]5-HT as the radioligand.


J Med Chem 32: 859-63 (1989)


Article DOI: 10.1021/jm00124a021
BindingDB Entry DOI: 10.7270/Q2571CMK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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8.10E+3n/an/an/an/an/an/an/an/a



University of Montana

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells


J Nat Prod 60: 651-3 (1997)


Article DOI: 10.1021/np960644d
BindingDB Entry DOI: 10.7270/Q2ZC83R7
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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1.70E+5n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affini...


J Med Chem 45: 5671-86 (2002)


Article DOI: 10.1021/jm020941h
BindingDB Entry DOI: 10.7270/Q23B60VG
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
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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)


Article DOI: 10.1021/jm00381a019
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
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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)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50169785
PNG
((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...)
Show SMILES CC(C)NCC(O)COc1ccccc1
Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
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n/an/an/a 5.37E+4n/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)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [3H]8-OH-DPAT as a radioligand


J Med Chem 31: 1087-93 (1988)


Article DOI: 10.1021/jm00401a007
BindingDB Entry DOI: 10.7270/Q20Z74K6
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT1B receptor in rat frontal cortex using [3H]-5-HT in presence of 0.1 uM [3H]-8-OH-DPAT as a radioligand


J Med Chem 31: 1087-93 (1988)


Article DOI: 10.1021/jm00401a007
BindingDB Entry DOI: 10.7270/Q20Z74K6
More data for this
Ligand-Target Pair
Cytochrome P450 2D18


(Rattus norvegicus)
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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n/an/a 1.17E+5n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D2


(Rattus norvegicus)
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D1


(Rattus norvegicus)
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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n/an/a 1.82E+5n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D1 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D3


(Rattus norvegicus)
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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n/an/a 1.55E+5n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D3 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant adrenergic beta-1 receptor expressed in Rex16 cells


J Nat Prod 69: 432-5 (2006)


Article DOI: 10.1021/np058114h
BindingDB Entry DOI: 10.7270/Q2V98907
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM81886
PNG
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Show SMILES CC(C)CNCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3
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n/an/an/a 1.26n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro ability to block beta-2 adrenergic receptor in guinea pig trachea.


J Med Chem 25: 1402-7 (1983)


Article DOI: 10.1021/jm00354a002
BindingDB Entry DOI: 10.7270/Q2WQ0500
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50405632
PNG
(CHEMBL68419)
Show SMILES CC(C)NCC(O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-15(18)11-19-16-8-7-13-5-3-4-6-14(13)9-16/h3-9,12,15,17-18H,10-11H2,1-2H3
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n/an/an/a 16.6n/an/an/an/an/a



Universidad de Barcelona

Curated by ChEMBL


Assay Description
Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, contracted with carbachol


J Med Chem 31: 2122-6 (1988)


Article DOI: 10.1021/jm00119a011
BindingDB Entry DOI: 10.7270/Q2J67J4Q
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50405634
PNG
(CHEMBL66662)
Show SMILES CC(C)N(C)CC(O)COc1ccccc1
Show InChI InChI=1S/C13H21NO2/c1-11(2)14(3)9-12(15)10-16-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3
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n/an/an/a 224n/an/an/an/an/a



Universidad de Barcelona

Curated by ChEMBL


Assay Description
Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, contracted with carbachol


J Med Chem 31: 2122-6 (1988)


Article DOI: 10.1021/jm00119a011
BindingDB Entry DOI: 10.7270/Q2J67J4Q
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50169785
PNG
((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...)
Show SMILES CC(C)NCC(O)COc1ccccc1
Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
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n/an/an/a 13.8n/an/an/an/an/a



Universidad de Barcelona

Curated by ChEMBL


Assay Description
Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, contracted with carbachol


J Med Chem 31: 2122-6 (1988)


Article DOI: 10.1021/jm00119a011
BindingDB Entry DOI: 10.7270/Q2J67J4Q
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)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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n/an/a 7.94E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2 receptor in rat frontal cortex using [3H]ketanserin as radioligand


J Med Chem 31: 1087-93 (1988)


Article DOI: 10.1021/jm00401a007
BindingDB Entry DOI: 10.7270/Q20Z74K6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50169785
PNG
((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...)
Show SMILES CC(C)NCC(O)COc1ccccc1
Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
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n/an/an/a 27n/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)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Bile acid transporter


(Homo sapiens)
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake in NTCP-expressing HeLa cells


J Pharmacol Exp Ther 291: 1204-9 (1999)


BindingDB Entry DOI: 10.7270/Q2NS0W06
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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n/an/a 1.30E+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)


Article DOI: 10.1021/jm00381a019
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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n/an/a 5.74E+5n/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity model


J Med Chem 45: 5671-86 (2002)


Article DOI: 10.1021/jm020941h
BindingDB Entry DOI: 10.7270/Q23B60VG
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM36108
PNG
((R)-propranolol)
Show SMILES CC(C)[NH2+]C[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/p+1/t14-/m1/s1
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n/an/a 5.83E+5n/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity model


J Med Chem 45: 5671-86 (2002)


Article DOI: 10.1021/jm020941h
BindingDB Entry DOI: 10.7270/Q23B60VG
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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n/an/an/a 0.700n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Beta adrenergic receptor in C6-2B astrocytoma cells, using [125I]-iodohydroxybenzylpindolol-benzylpindolol([125I]-HYP)


J Med Chem 24: 1211-4 (1981)


Article DOI: 10.1021/jm00142a017
More data for this
Ligand-Target Pair
Cytochrome P450 2D2


(Rattus norvegicus)
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell line


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D1


(Rattus norvegicus)
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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n/an/a 5.71E+5n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D1 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50169816
PNG
(1-tert-Butylamino-3-phenoxy-propan-2-ol | CHEMBL18...)
Show SMILES CC(C)(C)NCC(O)COc1ccccc1
Show InChI InChI=1S/C13H21NO2/c1-13(2,3)14-9-11(15)10-16-12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes


Bioorg Med Chem Lett 15: 3816-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.007
BindingDB Entry DOI: 10.7270/Q2WS8SSG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50169814
PNG
(1-(4-Allyloxy-phenoxy)-3-isopropylamino-propan-2-o...)
Show SMILES CC(C)NCC(O)COc1ccc(OCC=C)cc1
Show InChI InChI=1S/C15H23NO3/c1-4-9-18-14-5-7-15(8-6-14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes


Bioorg Med Chem Lett 15: 3816-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.007
BindingDB Entry DOI: 10.7270/Q2WS8SSG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50169805
PNG
(1-Isopropylamino-3-(6-methoxy-naphthalen-1-yloxy)-...)
Show SMILES COc1ccc2c(OCC(O)CNC(C)C)cccc2c1
Show InChI InChI=1S/C17H23NO3/c1-12(2)18-10-14(19)11-21-17-6-4-5-13-9-15(20-3)7-8-16(13)17/h4-9,12,14,18-19H,10-11H2,1-3H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes


Bioorg Med Chem Lett 15: 3816-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.007
BindingDB Entry DOI: 10.7270/Q2WS8SSG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50169791
PNG
((S)-3-Isopropylamino-1-(naphthalen-1-yloxy)-butan-...)
Show SMILES CC(C)N[C@@H](C)C(O)COc1cccc2ccccc12
Show InChI InChI=1S/C17H23NO2/c1-12(2)18-13(3)16(19)11-20-17-10-6-8-14-7-4-5-9-15(14)17/h4-10,12-13,16,18-19H,11H2,1-3H3/t13-,16?/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes


Bioorg Med Chem Lett 15: 3816-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.007
BindingDB Entry DOI: 10.7270/Q2WS8SSG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50169785
PNG
((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...)
Show SMILES CC(C)NCC(O)COc1ccccc1
Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes


Bioorg Med Chem Lett 15: 3816-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.007
BindingDB Entry DOI: 10.7270/Q2WS8SSG
More data for this
Ligand-Target Pair
Cytochrome P450 2D18


(Rattus norvegicus)
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
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-/m0/s1
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n/an/a 1.33E+5n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerevisiae


J Med Chem 46: 74-86 (2002)


Article DOI: 10.1021/jm0209578
BindingDB Entry DOI: 10.7270/Q2K64JSD
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 56 total )  |  Next  |  Last  >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 36108,36109,60973,81886,50016914,50061966,50169814,50169816,50169785,50169791,50169805,50246936,50406701,50405632,50405634
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM11
JPEG
BDBM36108
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.822.24-5.062.064.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36109
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.822.03-4.852.074.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)