Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM25749'   

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-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 InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)	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 Ki Database									Jpn J Pharmacol 52: 195-200 (1990) Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD
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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 InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)	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
					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 InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)	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
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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 InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)	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
					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 InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)	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
					More data for this Ligand-Target Pair