Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082831'   

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))	BDBM50082831 (1'-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-4-ethyl-2-...) Show SMILES CCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2| Show InChI InChI=1S/C32H37F2N5O5/c1-3-25-26(28(35)40)27(23-10-9-21(33)19-24(23)34)39(30(42)36-25)31(43)38-15-11-22(12-16-38)37-17-13-32(14-18-37,29(41)44-2)20-7-5-4-6-8-20/h4-10,19,22,27H,3,11-18H2,1-2H3,(H2,35,40)(H,36,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	81	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