BDBM398518 US10323020, Example 12::[4-(3,4-Dihydroisoquinolin-2(1H)-yl)piperidin-1-yl][2-(1,1-dioxidothiomorpholin-4-yl)pyrimidin-5-yl]methanone

SMILES: O=C(N1CCC(CC1)N1CCc2ccccc2C1)c1cnc(nc1)N1CCS(=O)(=O)CC1

InChI Key: InChIKey=DOQLTUNASFTORE-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 398518   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM398518 (US10323020, Example 12 | [4-(3,4-Dihydroisoquinoli...) Show SMILES O=C(N1CCC(CC1)N1CCc2ccccc2C1)c1cnc(nc1)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C23H29N5O3S/c29-22(20-15-24-23(25-16-20)27-11-13-32(30,31)14-12-27)26-9-6-21(7-10-26)28-8-5-18-3-1-2-4-19(18)17-28/h1-4,15-16,21H,5-14,17H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2PN9803
					More data for this Ligand-Target Pair