BDBM484162 (S)-4-((4-isopropyl-2-methyl- 3-oxo-1-oxa-4,9- diazaspiro[5.5]undecan-9- yl)methyl)benzonitrile::US10927128, Example 83

SMILES: CC(C)N1CC2(CCN(Cc3ccc(cc3)C#N)CC2)O[C@@H](C)C1=O

InChI Key: InChIKey=MTSCAPRYQXZIGQ-INIZCTEOSA-N

Data: 1 KI

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 = 484162   

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
Sigma-1 (Homo sapiens (Human))	BDBM484162 ((S)-4-((4-isopropyl-2-methyl- 3-oxo-1-oxa-4,9- dia...) Show SMILES CC(C)N1CC2(CCN(Cc3ccc(cc3)C#N)CC2)O[C@@H](C)C1=O |r| Show InChI InChI=1S/C20H27N3O2/c1-15(2)23-14-20(25-16(3)19(23)24)8-10-22(11-9-20)13-18-6-4-17(12-21)5-7-18/h4-7,15-16H,8-11,13-14H2,1-3H3/t16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ESTEVE PHARMACEUTICALS. S.A. US Patent					Assay Description To investigate binding properties of test compounds to human Sigma-1 receptor, transfected HEK-293 membranes and [3H](+)-pentazocine (Perkin Elmer, N...				US Patent US10927128 (2021)
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