Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.4 BDBM50313943

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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50313943 ((R)-(1H-benzo[d]imidazol-2-yl)methyl 4-(2-(2-hydro...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)OCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H25N5O3/c30-22(18-4-3-12-25-14-18)15-26-13-11-17-7-9-19(10-8-17)27-24(31)32-16-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,14,22,26,30H,11,13,15-16H2,(H,27,31)(H,28,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter				Bioorg Med Chem Lett 20: 1895-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.130 BindingDB Entry DOI: 10.7270/Q2639QPK
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50313943 ((R)-(1H-benzo[d]imidazol-2-yl)methyl 4-(2-(2-hydro...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)OCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H25N5O3/c30-22(18-4-3-12-25-14-18)15-26-13-11-17-7-9-19(10-8-17)27-24(31)32-16-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,14,22,26,30H,11,13,15-16H2,(H,27,31)(H,28,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter				Bioorg Med Chem Lett 20: 1895-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.130 BindingDB Entry DOI: 10.7270/Q2639QPK
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50313943 ((R)-(1H-benzo[d]imidazol-2-yl)methyl 4-(2-(2-hydro...) Show SMILES O[C@@H](CNCCc1ccc(NC(=O)OCc2nc3ccccc3[nH]2)cc1)c1cccnc1 |r| Show InChI InChI=1S/C24H25N5O3/c30-22(18-4-3-12-25-14-18)15-26-13-11-17-7-9-19(10-8-17)27-24(31)32-16-23-28-20-5-1-2-6-21(20)29-23/h1-10,12,14,22,26,30H,11,13,15-16H2,(H,27,31)(H,28,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance...				Bioorg Med Chem Lett 20: 1895-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.130 BindingDB Entry DOI: 10.7270/Q2639QPK
					More data for this Ligand-Target Pair