BDBM290104 US9573961, Example 89

SMILES: Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1

InChI Key: InChIKey=JCELYMYSGQSAHG-RZFHSFIVSA-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 = 290104   

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))	BDBM290104 (US9573961, Example 89) Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCCc2cc(ccc12)-n1cnnn1 |r| Show InChI InChI=1S/C28H30N6O4/c1-17-21(7-8-24-25(17)15-38-28(24)36)26-13-32-9-10-33(12-20(32)14-37-26)27(35)23-4-2-3-18-11-19(5-6-22(18)23)34-16-29-30-31-34/h5-8,11,16,20,23,26H,2-4,9-10,12-15H2,1H3/t20-,23?,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	490	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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