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-UHFFFAOYSA-N

Data  13 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50280934   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  6.70nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  7.70nMAssay Description:Displacement of [3H]-8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  8.31nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  18nMAssay Description:Displacement of [3H]-8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  19nMAssay Description:Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacementMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  38nMAssay Description:The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal membranes using [3H]8-OH-DPAT as radioliga...More data for this Ligand-Target Pair
In DepthDetails Article
Target5-hydroxytryptamine receptor 1B(Rattus norvegicus (Rat))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  182nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2C(PIG)
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  363nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 3A(RAT)
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi:  1.45E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetD(3) dopamine receptor(Homo sapiens (Human))
Institut de Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM50280934(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/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
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed