Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.3 BDBM50272616

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

Found 2 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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50272616 (2-Chloro-5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hy...) Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(Cl)c(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H23Cl2NO4/c26-18-3-1-2-16(10-18)24(29)14-28-19-6-4-15-5-7-20(12-17(15)11-19)32-21-8-9-23(27)22(13-21)25(30)31/h1-3,5,7-10,12-13,19,24,28-29H,4,6,11,14H2,(H,30,31)/t19-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				J Med Chem 51: 4804-22 (2008) Article DOI: 10.1021/jm800222k BindingDB Entry DOI: 10.7270/Q25D8SQ8
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50272616 (2-Chloro-5-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hy...) Show SMILES O[C@@H](CN[C@H]1CCc2ccc(Oc3ccc(Cl)c(c3)C(O)=O)cc2C1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H23Cl2NO4/c26-18-3-1-2-16(10-18)24(29)14-28-19-6-4-15-5-7-20(12-17(15)11-19)32-21-8-9-23(27)22(13-21)25(30)31/h1-3,5,7-10,12-13,19,24,28-29H,4,6,11,14H2,(H,30,31)/t19-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc Curated by ChEMBL					Assay Description Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation				J Med Chem 51: 4804-22 (2008) Article DOI: 10.1021/jm800222k BindingDB Entry DOI: 10.7270/Q25D8SQ8
					More data for this Ligand-Target Pair