Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50019461'   

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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019461 ((5-Amino-1,3-dimethyl-1H-pyrazol-4-yl)-(2-fluoro-p...) Show SMILES Cc1nn(C)c(N)c1C(=O)c1ccccc1F Show InChI InChI=1S/C12H12FN3O/c1-7-10(12(14)16(2)15-7)11(17)8-5-3-4-6-9(8)13/h3-6H,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]- WB-4101				J Med Chem 29: 1628-37 (1986) BindingDB Entry DOI: 10.7270/Q2319TVF
					More data for this Ligand-Target Pair