Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 302.3 BDBM50070127

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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))	BDBM50070127 (4-{(S)-3-[2-(4-Amino-phenyl)-ethylamino]-2-hydroxy...) Show SMILES Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C17H22N2O3/c18-14-3-1-13(2-4-14)9-10-19-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,19-21H,9-12,18H2/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070127 (4-{(S)-3-[2-(4-Amino-phenyl)-ethylamino]-2-hydroxy...) Show SMILES Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C17H22N2O3/c18-14-3-1-13(2-4-14)9-10-19-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,19-21H,9-12,18H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50070127 (4-{(S)-3-[2-(4-Amino-phenyl)-ethylamino]-2-hydroxy...) Show SMILES Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C17H22N2O3/c18-14-3-1-13(2-4-14)9-10-19-11-16(21)12-22-17-7-5-15(20)6-8-17/h1-8,16,19-21H,9-12,18H2/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity against cloned human beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 1101-6 (1999) BindingDB Entry DOI: 10.7270/Q2VM4BDM
					More data for this Ligand-Target Pair