BDBM290073 US9573961, Example 58

SMILES: Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cc(ccc1F)-n1cnnn1

InChI Key: InChIKey=XHKCDJPHQAHHTJ-WZONZLPQSA-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 = 290073   

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))	BDBM290073 (US9573961, Example 58) Show SMILES Cc1c(ccc(F)c1C#N)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1cc(ccc1F)-n1cnnn1 |r| Show InChI InChI=1S/C24H23F2N7O2/c1-15-19(3-5-22(26)20(15)10-27)23-12-31-6-7-32(11-18(31)13-35-23)24(34)9-16-8-17(2-4-21(16)25)33-14-28-29-30-33/h2-5,8,14,18,23H,6-7,9,11-13H2,1H3/t18-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	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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