Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50068814'   

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))	BDBM50068814 (1-{3-[(5-Acetyl-4-benzo[1,3]dioxol-5-yl-2,6-dimeth...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(C)=O)CC1)c1ccccc1 |c:14,t:17| Show InChI InChI=1S/C33H39N3O6/c1-21-28(23(3)37)30(24-11-12-26-27(19-24)42-20-41-26)29(22(2)35-21)31(38)34-15-8-16-36-17-13-33(14-18-36,32(39)40-4)25-9-6-5-7-10-25/h5-7,9-12,19,28,30H,8,13-18,20H2,1-4H3,(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity was determined for the alpha-1A adrenergic receptor				J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50068814 (1-{3-[(5-Acetyl-4-benzo[1,3]dioxol-5-yl-2,6-dimeth...) Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(C)=O)CC1)c1ccccc1 |c:14,t:17| Show InChI InChI=1S/C33H39N3O6/c1-21-28(23(3)37)30(24-11-12-26-27(19-24)42-20-41-26)29(22(2)35-21)31(38)34-15-8-16-36-17-13-33(14-18-36,32(39)40-4)25-9-6-5-7-10-25/h5-7,9-12,19,28,30H,8,13-18,20H2,1-4H3,(H,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Homo sapiens (human) alpha1A adrenergic receptor				Citation and Details Article DOI: 10.1007/s00044-004-0120-9 BindingDB Entry DOI: 10.7270/Q251424N
					More data for this Ligand-Target Pair