Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50392647'   

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-1B adrenergic receptor (Homo sapiens (Human))	BDBM50392647 (CHEMBL2153559) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-20-17(24-3)8-5-9-18(20)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Rattus norvegicus (rat))	BDBM50392647 (CHEMBL2153559) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 |r| Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-20-17(24-3)8-5-9-18(20)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins				Eur J Med Chem 58: 184-91 (2012) Article DOI: 10.1016/j.ejmech.2012.09.049 BindingDB Entry DOI: 10.7270/Q2WQ04W7
					More data for this Ligand-Target Pair