BDBM282814 6-((S)-2-Methyl-pyrrolidine-1-carbonyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid [(R)-1-(3-chloro-4-trifluoromethyl-phenyl)-propyl]-amide::US9884860, Example 16c

SMILES: CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(c(c1)C#N)C(F)(F)F

InChI Key: InChIKey=FCLYWPNBRCWWHS-MGPUTAFESA-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 = 282814   

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
Potassium channel protein TASK-1 (Homo sapiens (Human))	BDBM282814 (6-((S)-2-Methyl-pyrrolidine-1-carbonyl)-3,4-dihydr...) Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2CCOCc12)c1ccc(c(c1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C25H27F3N4O3/c1-3-20(16-6-7-19(25(26,27)28)17(11-16)13-29)30-23(33)18-12-21(32-9-10-35-14-22(18)32)24(34)31-8-4-5-15(31)2/h6-7,11-12,15,20H,3-5,8-10,14H2,1-2H3,(H,30,33)/t15-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...				US Patent US9884860 (2018) BindingDB Entry DOI: 10.7270/Q2862JGT
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