Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50160152'   

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))	BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dublin Curated by PDSP Ki Database									J Med Chem 49: 501-10 (2006) Article DOI: 10.1021/jm0503751 BindingDB Entry DOI: 10.7270/Q29G5KC3
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 13: 1873-8 (2003) BindingDB Entry DOI: 10.7270/Q2S46V50
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately active				Bioorg Med Chem Lett 15: 657-64 (2005) Article DOI: 10.1016/j.bmcl.2004.11.032 BindingDB Entry DOI: 10.7270/Q2SN08GW
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50160152 (3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...) Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dublin Curated by PDSP Ki Database									J Med Chem 49: 501-10 (2006) Article DOI: 10.1021/jm0503751 BindingDB Entry DOI: 10.7270/Q29G5KC3
					More data for this Ligand-Target Pair