Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 507.6 BDBM50277536

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))	BDBM50277536 (3-Cyclopentyl-4'-(2-{[(2R)-2-hydroxy-2-pyridin-3-y...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1C1CCCC1)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C28H33N3O4S/c1-36(34,35)31-28(33)25-13-12-23(17-26(25)22-5-2-3-6-22)21-10-8-20(9-11-21)14-16-30-19-27(32)24-7-4-15-29-18-24/h4,7-13,15,17-18,22,27,30,32H,2-3,5-6,14,16,19H2,1H3,(H,31,33)/t27-/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	0.290	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50277536 (3-Cyclopentyl-4'-(2-{[(2R)-2-hydroxy-2-pyridin-3-y...) Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1C1CCCC1)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C28H33N3O4S/c1-36(34,35)31-28(33)25-13-12-23(17-26(25)22-5-2-3-6-22)21-10-8-20(9-11-21)14-16-30-19-27(32)24-7-4-15-29-18-24/h4,7-13,15,17-18,22,27,30,32H,2-3,5-6,14,16,19H2,1H3,(H,31,33)/t27-/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 recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay				J Med Chem 52: 3063-72 (2009) Article DOI: 10.1021/jm9000709 BindingDB Entry DOI: 10.7270/Q2S75G6J
					More data for this Ligand-Target Pair