BDBM290034 US9573961, Example 19

SMILES: COc1cc(ccc1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1

InChI Key: InChIKey=ZUPHXGLOGWKYGM-GGAORHGYSA-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 = 290034   

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))	BDBM290034 (US9573961, Example 19) Show SMILES COc1cc(ccc1C#N)[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C24H25N7O3/c1-33-22-11-18(4-5-19(22)12-25)23-14-29-8-9-30(13-21(29)15-34-23)24(32)10-17-2-6-20(7-3-17)31-16-26-27-28-31/h2-7,11,16,21,23H,8-10,13-15H2,1H3/t21-,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	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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