Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082820'   

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))	BDBM50082820 (1'-[5-Methoxycarbonyl-4-methoxymethyl-2-oxo-6-(3,4...) Show SMILES COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1cc(F)c(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C33H37F3N4O7/c1-45-19-25-26(29(41)46-2)28(20-17-23(34)27(36)24(35)18-20)40(31(43)37-25)32(44)39-13-9-22(10-14-39)38-15-11-33(12-16-38,30(42)47-3)21-7-5-4-6-8-21/h4-8,17-18,22,28H,9-16,19H2,1-3H3,(H,37,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair