BDBM349538 US10207991, Ex. Cpd. No. 54::US10611728, Example Compound 54

SMILES: CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1

InChI Key: InChIKey=MLUVEMSNRPMVHW-UHFFFAOYSA-N

Data: 6 KI  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 7 hits for monomerid = 349538   

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 intracellular receptor 2 (Homo sapiens (Human))	BDBM349538 (US10207991, Ex. Cpd. No. 54 | US10611728, Example ...) Show SMILES CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 Show InChI InChI=1S/C20H21F4NO2/c1-19(2,25-11-14-4-3-5-16(21)15(14)12-25)9-8-13-6-7-17(26)18(10-13)27-20(22,23)24/h3-7,10,26H,8-9,11-12H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COGNITION THERAPEUTICS, INC. US Patent					Assay Description Radioligand binding assays for Sigma-1 receptors and Sigma-2 receptors were carried out by a commercial contract research organization. For Sigma-1 b...				US Patent US9796672 (2017) BindingDB Entry DOI: 10.7270/Q2X92DFN
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM349538 (US10207991, Ex. Cpd. No. 54 | US10611728, Example ...) Show SMILES CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 Show InChI InChI=1S/C20H21F4NO2/c1-19(2,25-11-14-4-3-5-16(21)15(14)12-25)9-8-13-6-7-17(26)18(10-13)27-20(22,23)24/h3-7,10,26H,8-9,11-12H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COGNITION THERAPEUTICS, INC. US Patent					Assay Description Radioligand binding assays for Sigma-1 receptors and Sigma-2 receptors were carried out by a commercial contract research organization. For Sigma-1 b...				US Patent US10611728 (2020)
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM349538 (US10207991, Ex. Cpd. No. 54 | US10611728, Example ...) Show SMILES CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 Show InChI InChI=1S/C20H21F4NO2/c1-19(2,25-11-14-4-3-5-16(21)15(14)12-25)9-8-13-6-7-17(26)18(10-13)27-20(22,23)24/h3-7,10,26H,8-9,11-12H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COGNITION THERAPEUTICS, INC. US Patent					Assay Description The affinity of candidate sigma-2 ligand compounds at sigma-1 and sigma-2 receptors was also determined by displacement of different known labeled si...				US Patent US10207991 (2019) BindingDB Entry DOI: 10.7270/Q2BV7JRG
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM349538 (US10207991, Ex. Cpd. No. 54 | US10611728, Example ...) Show SMILES CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 Show InChI InChI=1S/C20H21F4NO2/c1-19(2,25-11-14-4-3-5-16(21)15(14)12-25)9-8-13-6-7-17(26)18(10-13)27-20(22,23)24/h3-7,10,26H,8-9,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COGNITION THERAPEUTICS, INC. US Patent					Assay Description Radioligand binding assays for Sigma-1 receptors and Sigma-2 receptors were carried out by a commercial contract research organization. For Sigma-1 b...				US Patent US9796672 (2017) BindingDB Entry DOI: 10.7270/Q2X92DFN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM349538 (US10207991, Ex. Cpd. No. 54 | US10611728, Example ...) Show SMILES CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 Show InChI InChI=1S/C20H21F4NO2/c1-19(2,25-11-14-4-3-5-16(21)15(14)12-25)9-8-13-6-7-17(26)18(10-13)27-20(22,23)24/h3-7,10,26H,8-9,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COGNITION THERAPEUTICS, INC. US Patent					Assay Description Radioligand binding assays for Sigma-1 receptors and Sigma-2 receptors were carried out by a commercial contract research organization. For Sigma-1 b...				US Patent US10611728 (2020)
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM349538 (US10207991, Ex. Cpd. No. 54 | US10611728, Example ...) Show SMILES CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 Show InChI InChI=1S/C20H21F4NO2/c1-19(2,25-11-14-4-3-5-16(21)15(14)12-25)9-8-13-6-7-17(26)18(10-13)27-20(22,23)24/h3-7,10,26H,8-9,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
COGNITION THERAPEUTICS, INC. US Patent					Assay Description The affinity of candidate sigma-2 ligand compounds at sigma-1 and sigma-2 receptors was also determined by displacement of different known labeled si...				US Patent US10207991 (2019) BindingDB Entry DOI: 10.7270/Q2BV7JRG
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 2/HERG (Homo sapiens (Human))	BDBM349538 (US10207991, Ex. Cpd. No. 54 | US10611728, Example ...) Show SMILES CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 Show InChI InChI=1S/C20H21F4NO2/c1-19(2,25-11-14-4-3-5-16(21)15(14)12-25)9-8-13-6-7-17(26)18(10-13)27-20(22,23)24/h3-7,10,26H,8-9,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
COGNITION THERAPEUTICS, INC. US Patent					Assay Description Representative sigma-2 antagonists test compounds do not induce neuronal or glial toxicity with acute or chronic dosing in vitro. The sigma-2 recepto...				US Patent US10611728 (2020)
					More data for this Ligand-Target Pair