Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 551.7 BDBM50075904

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))	BDBM50075904 (CHEMBL165015 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C29H37N5O4S/c1-2-3-4-18-33-19-20-34(29(33)36)26-11-13-27(14-12-26)39(37,38)32-25-9-7-23(8-10-25)15-17-31-22-28(35)24-6-5-16-30-21-24/h5-14,16,21,28,31-32,35H,2-4,15,17-20,22H2,1H3/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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol				Bioorg Med Chem Lett 9: 755-8 (1999) BindingDB Entry DOI: 10.7270/Q2Z60N7C
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50075904 (CHEMBL165015 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C29H37N5O4S/c1-2-3-4-18-33-19-20-34(29(33)36)26-11-13-27(14-12-26)39(37,38)32-25-9-7-23(8-10-25)15-17-31-22-28(35)24-6-5-16-30-21-24/h5-14,16,21,28,31-32,35H,2-4,15,17-20,22H2,1H3/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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol				Bioorg Med Chem Lett 9: 755-8 (1999) BindingDB Entry DOI: 10.7270/Q2Z60N7C
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50075904 (CHEMBL165015 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES CCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C29H37N5O4S/c1-2-3-4-18-33-19-20-34(29(33)36)26-11-13-27(14-12-26)39(37,38)32-25-9-7-23(8-10-25)15-17-31-22-28(35)24-6-5-16-30-21-24/h5-14,16,21,28,31-32,35H,2-4,15,17-20,22H2,1H3/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	21	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity towards Beta-3 adrenergic receptor				Bioorg Med Chem Lett 9: 755-8 (1999) BindingDB Entry DOI: 10.7270/Q2Z60N7C
					More data for this Ligand-Target Pair