Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50099323'   

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 (CALF)	BDBM50099323 (3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-33-22-11-6-5-10-21(22)29-16-14-28(15-17-29)12-7-13-30-25(31)23-20(19-8-3-2-4-9-19)18-34-24(23)27-26(30)32/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt 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
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards bovine Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50099323 (3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-33-22-11-6-5-10-21(22)29-16-14-28(15-17-29)12-7-13-30-25(31)23-20(19-8-3-2-4-9-19)18-34-24(23)27-26(30)32/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity for human Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50099323 (3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...) Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-33-22-11-6-5-10-21(22)29-16-14-28(15-17-29)12-7-13-30-25(31)23-20(19-8-3-2-4-9-19)18-34-24(23)27-26(30)32/h2-6,8-11,18H,7,12-17H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards rat Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair