Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50409813'   

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))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H] prazosin from human cloned adrenoceptor alpha 1A expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024 BindingDB Entry DOI: 10.7270/Q26976XT
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50409813 (CHEMBL1083181 | CHEMBL37883) Show SMILES C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21)27-19-23(28-24)18-25-16-17-26-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 2017-20 (2010) Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ
					More data for this Ligand-Target Pair