BDBM271895 US10065945, Example 7

SMILES: CCc1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2ccc(OCC(F)(F)F)nc2)n1

InChI Key: InChIKey=OSBGQXMSWQEPML-CQSZACIVSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 271895   

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-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM271895 (US10065945, Example 7) Show SMILES CCc1noc(NS(=O)(=O)c2ccc3CCN(Cc3c2)[C@H](C)c2ccc(OCC(F)(F)F)nc2)n1 |r| Show InChI InChI=1S/C22H24F3N5O4S/c1-3-19-27-21(34-28-19)29-35(31,32)18-6-4-15-8-9-30(12-17(15)10-18)14(2)16-5-7-20(26-11-16)33-13-22(23,24)25/h4-7,10-11,14H,3,8-9,12-13H2,1-2H3,(H,27,28,29)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...				US Patent US10065945 (2018) BindingDB Entry DOI: 10.7270/Q24X59TJ
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