BDBM290112 US9573961, Example 97

SMILES: Cc1c(csc1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1

InChI Key: InChIKey=UKOOYFCCHJMKRO-AVAATZNPSA-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 = 290112   

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))	BDBM290112 (US9573961, Example 97) Show SMILES Cc1c(csc1C#N)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r| Show InChI InChI=1S/C25H27N7O2S/c1-16-22(14-35-24(16)10-26)23-12-30-7-8-31(11-19(30)13-34-23)25(33)21-4-2-3-17-9-18(5-6-20(17)21)32-15-27-28-29-32/h5-6,9,14-15,19,21,23H,2-4,7-8,11-13H2,1H3/t19-,21?,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	620	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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