BDBM290076 US9573961, Example 61

SMILES: Cc1c(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc(F)c(C#N)c2C)cccc1-n1cnnn1

InChI Key: InChIKey=NJADJTGVOAOBRT-NTKDMRAZSA-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 = 290076   

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
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM290076 (US9573961, Example 61) Show SMILES Cc1c(CC(=O)N2CCN3C[C@@H](OC[C@H]3C2)c2ccc(F)c(C#N)c2C)cccc1-n1cnnn1 |r| Show InChI InChI=1S/C25H26FN7O2/c1-16-18(4-3-5-23(16)33-15-28-29-30-33)10-25(34)32-9-8-31-13-24(35-14-19(31)12-32)20-6-7-22(26)21(11-27)17(20)2/h3-7,15,19,24H,8-10,12-14H2,1-2H3/t19-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...				US Patent US9573961 (2017) BindingDB Entry DOI: 10.7270/Q241704N
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