Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50041922   

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 adrenergic receptor (Homo sapiens (Human))	BDBM50418752 (CHEMBL1796033) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1 Show InChI InChI=1S/C26H33N3O3/c1-32-24-12-6-5-11-23(24)28-17-15-27(16-18-28)13-7-8-14-29-25(30)19-22(20-26(29)31)21-9-3-2-4-10-21/h2-6,9-12,22H,7-8,13-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic alpha1A receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]inositol phos...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50418769 (CHEMBL1796050) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1 Show InChI InChI=1S/C28H35N3O3/c1-34-25-11-5-4-10-24(25)30-18-16-29(17-19-30)14-6-7-15-31-26(32)20-28(21-27(31)33)13-12-22-8-2-3-9-23(22)28/h2-5,8-11H,6-7,12-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic alpha1A receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]inositol phos...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50418765 (CHEMBL1796046) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1 Show InChI InChI=1S/C27H35N3O3/c1-27(22-10-4-3-5-11-22)20-25(31)30(26(32)21-27)15-9-8-14-28-16-18-29(19-17-28)23-12-6-7-13-24(23)33-2/h3-7,10-13H,8-9,14-21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Antagonist activity at human adrenergic alpha1A receptor expressed in HEK293 cells assessed as inhibition of norepinephrine-induced [3H]inositol phos...				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair