Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50203486'   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50203486 (2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...) Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccncc2C1=O |(16.6,-44.54,;15.83,-43.21,;14.29,-43.21,;16.6,-41.88,;15.83,-40.54,;14.3,-40.54,;13.53,-39.22,;14.29,-37.89,;15.83,-37.88,;16.6,-39.21,;18.14,-39.22,;18.91,-40.55,;20.44,-40.56,;21.22,-39.23,;20.45,-37.89,;18.9,-37.88,;22.76,-39.23,;23.52,-40.57,;25.06,-40.58,;25.84,-39.25,;25.07,-37.91,;23.53,-37.9,;27.38,-39.25,;28.28,-38.01,;27.81,-36.54,;29.74,-38.49,;31.07,-37.73,;32.4,-38.5,;32.4,-40.05,;31.06,-40.81,;29.73,-40.03,;28.27,-40.5,;27.79,-41.96,)| Show InChI InChI=1S/C26H32N4O3/c1-18(2)33-24-6-4-3-5-23(24)29-15-13-28(14-16-29)19-7-9-20(10-8-19)30-25(31)21-11-12-27-17-22(21)26(30)32/h3-6,11-12,17-20H,7-10,13-16H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 1646-50 (2007) Article DOI: 10.1016/j.bmcl.2006.12.111 BindingDB Entry DOI: 10.7270/Q2PG1RC2
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