Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50099321'   

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-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50099321 (3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-18-22(19-8-4-3-5-9-19)23-24(34-18)27-26(32)30(25(23)31)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17H2,1-2H3,(H,27,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.251	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-1D adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50099321 (3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1 Show InChI InChI=1S/C26H28N4O3S/c1-18-22(19-8-4-3-5-9-19)23-24(34-18)27-26(32)30(25(23)31)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17H2,1-2H3,(H,27,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.466	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 human Alpha-1D adrenergic receptor				Bioorg Med Chem Lett 11: 1119-21 (2001) BindingDB Entry DOI: 10.7270/Q20V8DBQ
					More data for this Ligand-Target Pair