Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50343894'   

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))	BDBM50343894 (CHEMBL1774995 | N-(2-(4-(2-Hydroxyphenyl)piperazin...) Show SMILES Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)| Show InChI InChI=1S/C26H27IN4O2/c27-26-21-18-22(26)20-23(26)19(21)25(18,20)24(33)31(17-7-3-4-8-28-17)14-11-29-9-12-30(13-10-29)15-5-1-2-6-16(15)32/h1-8,18-23,32H,9-14H2	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Medical Center Curated by ChEMBL					Assay Description Inhibition of adrenergic alpha1B receptor				J Med Chem 54: 3480-91 (2011) Article DOI: 10.1021/jm1009956 BindingDB Entry DOI: 10.7270/Q2HX1D1C
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