BindingDB PrimarySearch

BDBM25749 CHEMBL6995::N-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide::Practolol::Practolol,(+)::Practolol,(-)

SMILES: CC(C)NCC(O)COc1ccc(NC(C)=O)cc1

InChI Key: InChIKey=DURULFYMVIFBIR-UHFFFAOYSA-N

Data: 6 KI 3 IC50 17 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 25749
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	245	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Niigata College of Pharmacy Curated by PDSP K_i Database									Jpn J Pharmacol 52: 195-200 (1990) Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD
Niigata College of Pharmacy Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									Mol Pharmacol 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Niigata College of Pharmacy Curated by PDSP K_i Database									Jpn J Pharmacol 52: 195-200 (1990) Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD
Niigata College of Pharmacy Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									Mol Pharmacol 12: 568-80 (1976) BindingDB Entry DOI: 10.7270/Q2ZK5F5P
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Niigata College of Pharmacy Curated by PDSP K_i Database									Jpn J Pharmacol 52: 195-200 (1990) Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD
Niigata College of Pharmacy Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Beta-adrenergic receptor (Mus musculus)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).				J Med Chem 33: 216-23 (1990) BindingDB Entry DOI: 10.7270/Q2M32TQB
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation				J Med Chem 25: 1408-12 (1983) BindingDB Entry DOI: 10.7270/Q2S183PB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...				J Med Chem 26: 950-7 (1983) BindingDB Entry DOI: 10.7270/Q2GH9K4C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against beta-1 adrenergic receptor of isolated guinea pig atria				J Med Chem 28: 153-60 (1985) BindingDB Entry DOI: 10.7270/Q21C1Z2K
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Activity at beta-1 adrenergic receptor				J Med Chem 35: 4676-82 (1993) BindingDB Entry DOI: 10.7270/Q2KS6SRG
University of Melbourne Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (BSEP) (Homo sapiens (Human))	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Rattus norvegicus)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
ADRB2 (BOVINE)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation				J Med Chem 25: 1408-12 (1983) BindingDB Entry DOI: 10.7270/Q2S183PB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...				J Med Chem 26: 950-7 (1983) BindingDB Entry DOI: 10.7270/Q2GH9K4C
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against beta-2 adrenergic receptor on isolated guinea pig tracheal strips				J Med Chem 28: 153-60 (1985) BindingDB Entry DOI: 10.7270/Q21C1Z2K
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity against beta-2 adrenergic receptor in isolated guinea pig trachea				J Med Chem 30: 616-22 (1987) BindingDB Entry DOI: 10.7270/Q29P32VG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Cardioselectivity for the beta-2 adrenergic receptor was determined against isoprenaline (antagonism) in isolated rat atria				J Med Chem 30: 1003-11 (1987) BindingDB Entry DOI: 10.7270/Q2251KC9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (BOVINE)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity of compound against Beta-1 adrenergic receptor in isolated guinea pig left atria				J Med Chem 24: 994-8 (1982) BindingDB Entry DOI: 10.7270/Q2JH3ND4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated guinea pig trachea				J Med Chem 30: 1003-11 (1987) BindingDB Entry DOI: 10.7270/Q2251KC9
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 30: 616-22 (1987) BindingDB Entry DOI: 10.7270/Q29P32VG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
University of Nottingham					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	724	n/a	n/a	n/a	7.4	37
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
University of Nottingham					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25749 (CHEMBL6995 \| N-{4-[2-hydroxy-3-(propan-2-ylamino)p...) Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...				Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV
University of Nottingham					More data for this Ligand-Target Pair