Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50019355'   

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))	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	22.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Curated by ChEMBL					Assay Description Binding Affinity against human beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand				J Med Chem 42: 2287-94 (1999) Article DOI: 10.1021/jm990012z BindingDB Entry DOI: 10.7270/Q2057JN4
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee-Memphis Curated by ChEMBL					Assay Description Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ...				J Med Chem 39: 3701-11 (1996) Article DOI: 10.1021/jm960208o BindingDB Entry DOI: 10.7270/Q2Q52SBM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	45.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Binding affinity against Beta-2 adrenergic receptor in guinea pig lung membranes				J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by PDSP Ki Database									J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human beta2 adrenergic receptor (AR) in the presence of [1...				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea after treatment with the compound				J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human beta2 adrenergic receptor (AR)				Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG
					More data for this Ligand-Target Pair