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BDBM50280934 1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2-ol::1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2-ol(TERtatolol)::CHEMBL434200::TERTATOLOL(-)::Tertatolol

SMILES: CC(C)(C)NCC(O)COc1cccc2CCCSc12

InChI Key: InChIKey=HTWFXPCUFWKXOP-UHFFFAOYNA-N

Data: 13 KI

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 13 hits for monomerid = 50280934   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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6.70n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 1241-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CJ8C04
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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7.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 3: 2035-2038 (1993)


Article DOI: 10.1016/S0960-894X(01)81009-X
BindingDB Entry DOI: 10.7270/Q2XW4JQH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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8.31n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Sorbonne University

Curated by PDSP Ki Database




Neuropsychopharmacology 3: 349-60 (1990)


BindingDB Entry DOI: 10.7270/Q2N29VFS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 3: 2035-2038 (1993)


Article DOI: 10.1016/S0960-894X(01)81009-X
BindingDB Entry DOI: 10.7270/Q2XW4JQH
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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19n/an/an/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement


J Med Chem 39: 126-34 (1996)

More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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38n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal membranes using [3H]8-OH-DPAT as radioliga...


Bioorg Med Chem Lett 3: 2035-2038 (1993)


Article DOI: 10.1016/S0960-894X(01)81009-X
BindingDB Entry DOI: 10.7270/Q2XW4JQH
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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182n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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363n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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1.45E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 1241-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CJ8C04
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 1241-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CJ8C04
More data for this
Ligand-Target Pair