Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50096766'   

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))	BDBM50096766 ((R)-2-(2-{4-[2-Nitro-1-(3-phenoxy-phenylamino)-vin...) Show SMILES OC(CNCCc1ccc(N\C([CH-][N+]([O-])=O)=[NH+]\c2cccc(Oc3ccccc3)c2)cc1)c1cccnc1 Show InChI InChI=1S/C29H28N5O4/c35-28(23-6-5-16-30-19-23)20-31-17-15-22-11-13-24(14-12-22)32-29(21-34(36)37)33-25-7-4-10-27(18-25)38-26-8-2-1-3-9-26/h1-14,16,18-19,21,28,31,35H,15,17,20H2,(H,32,33)/q-1/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro efficacy at human beta-3 adrenergic receptor.				Bioorg Med Chem Lett 11: 379-82 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SNJ
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