Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 557.6 BDBM50091776

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))	BDBM50091776 (CHEMBL433248 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccccn2)cc1)c1cccnc1 Show InChI InChI=1S/C29H27N5O3S2/c35-28(23-4-3-15-30-18-23)19-31-17-14-21-6-10-24(11-7-21)34-39(36,37)25-12-8-22(9-13-25)29-33-27(20-38-29)26-5-1-2-16-32-26/h1-13,15-16,18,20,28,31,34-35H,14,17,19H2/t28-/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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human Beta-2 adrenergic receptor expressed in CHO cells using [125I]-iodocyanopindolol				Bioorg Med Chem Lett 10: 1971-3 (2001) BindingDB Entry DOI: 10.7270/Q26T0KV0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50091776 (CHEMBL433248 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccccn2)cc1)c1cccnc1 Show InChI InChI=1S/C29H27N5O3S2/c35-28(23-4-3-15-30-18-23)19-31-17-14-21-6-10-24(11-7-21)34-39(36,37)25-12-8-22(9-13-25)29-33-27(20-38-29)26-5-1-2-16-32-26/h1-13,15-16,18,20,28,31,34-35H,14,17,19H2/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity (measured using [125I]-iodocyanopindolol) against human Beta-1 adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 10: 1971-3 (2001) BindingDB Entry DOI: 10.7270/Q26T0KV0
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50091776 (CHEMBL433248 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccccn2)cc1)c1cccnc1 Show InChI InChI=1S/C29H27N5O3S2/c35-28(23-4-3-15-30-18-23)19-31-17-14-21-6-10-24(11-7-21)34-39(36,37)25-12-8-22(9-13-25)29-33-27(20-38-29)26-5-1-2-16-32-26/h1-13,15-16,18,20,28,31,34-35H,14,17,19H2/t28-/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	22	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Stimulated increase in cAMP in CHO cells expressing human beta-3 receptor				Bioorg Med Chem Lett 10: 1971-3 (2001) BindingDB Entry DOI: 10.7270/Q26T0KV0
					More data for this Ligand-Target Pair