Compile Data Set for Download or QSAR

Found 14 hits of kd for drug = Albuterol   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116864 BindingDB Entry DOI: 10.7270/Q241722K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring at basal tone assessed as bronchorelaxation activity				Bioorg Med Chem Lett 25: 820-5 (2015) Article DOI: 10.1016/j.bmcl.2014.12.077 BindingDB Entry DOI: 10.7270/Q2FN17W4
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting				J Med Chem 59: 5780-9 (2016) Article DOI: 10.1021/acs.jmedchem.6b00358 BindingDB Entry DOI: 10.7270/Q2GH9NF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting				J Med Chem 59: 5780-9 (2016) Article DOI: 10.1021/acs.jmedchem.6b00358 BindingDB Entry DOI: 10.7270/Q2GH9NF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced co...				Bioorg Med Chem Lett 25: 820-5 (2015) Article DOI: 10.1016/j.bmcl.2014.12.077 BindingDB Entry DOI: 10.7270/Q2FN17W4
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (BOVINE)	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	263	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
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (BOVINE)	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	520	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
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (BOVINE)	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding affinity constant to beta-2 adrenergic receptor determined using [3H]DHA				J Med Chem 29: 549-54 (1986) BindingDB Entry DOI: 10.7270/Q2PC33WN
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	759	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional Curated by ChEMBL					Assay Description Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against carbachol-induced co...				Eur J Med Chem 44: 2840-6 (2009) Article DOI: 10.1016/j.ejmech.2008.12.016 BindingDB Entry DOI: 10.7270/Q2FQ9XJN
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintilla...				J Med Chem 59: 5780-9 (2016) Article DOI: 10.1021/acs.jmedchem.6b00358 BindingDB Entry DOI: 10.7270/Q2GH9NF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintilla...				J Med Chem 59: 5780-9 (2016) Article DOI: 10.1021/acs.jmedchem.6b00358 BindingDB Entry DOI: 10.7270/Q2GH9NF7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	2.19E+4	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
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM25769 (4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...) Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.68E+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
					More data for this Ligand-Target Pair