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 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)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50280934 (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	Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2VX0K7V
					More data for this Ligand-Target Pair
Serotonin 1 (5-HT1) receptor (Rattus norvegicus (rat))	BDBM50280934 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 2A (Rattus norvegicus (rat))	BDBM50280934 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50280934 (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	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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