Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 607.7 BDBM50099166

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

Found 1 hit 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))	BDBM50099166 (CHEMBL367561 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(8-hyd...) Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1ccc(O)c2NC(=O)CCc12 |w:12.13,t:6| Show InChI InChI=1S/C30H37N7O5S/c1-36(2)29(31)35-30-34-28(41)25(43-30)15-18-3-5-20(6-4-18)37-13-11-19(12-14-37)32-16-21(38)17-42-24-9-8-23(39)27-22(24)7-10-26(40)33-27/h3-6,8-9,15,19,21,32,38-39H,7,10-14,16-17H2,1-2H3,(H,33,40)(H2,31,34,35,41)/t21-/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	2	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.				Bioorg Med Chem Lett 11: 981-4 (2001) BindingDB Entry DOI: 10.7270/Q2125RZ5
					More data for this Ligand-Target Pair