Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.4 BDBM84202

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM84202 (2,6-dimethyl-4-(1-phenyl-3-thiophen-2-yl-4-pyrazol...) Show SMILES CC1=NC(C)=C(C#N)C(C1C#N)c1cn(nc1-c1cccs1)-c1ccccc1 |t:1,4| Show InChI InChI=1S/C22H17N5S/c1-14-17(11-23)21(18(12-24)15(2)25-14)19-13-27(16-7-4-3-5-8-16)26-22(19)20-9-6-10-28-20/h3-10,13,17,21H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	327	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2RB734K
					More data for this Ligand-Target Pair