BDBM349537 US10207991, Ex. Cpd. No. 53::US10611728, Example Compound 53

SMILES: COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O

InChI Key: InChIKey=QJEVUBLASGKUQZ-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 = 349537   

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))	BDBM349537 (US10207991, Ex. Cpd. No. 53 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O Show InChI InChI=1S/C20H24FNO2/c1-20(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22/h4-8,11,23H,9-10,12-13H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	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))	BDBM349537 (US10207991, Ex. Cpd. No. 53 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O Show InChI InChI=1S/C20H24FNO2/c1-20(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22/h4-8,11,23H,9-10,12-13H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	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))	BDBM349537 (US10207991, Ex. Cpd. No. 53 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O Show InChI InChI=1S/C20H24FNO2/c1-20(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22/h4-8,11,23H,9-10,12-13H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	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))	BDBM349537 (US10207991, Ex. Cpd. No. 53 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O Show InChI InChI=1S/C20H24FNO2/c1-20(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22/h4-8,11,23H,9-10,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	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))	BDBM349537 (US10207991, Ex. Cpd. No. 53 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O Show InChI InChI=1S/C20H24FNO2/c1-20(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22/h4-8,11,23H,9-10,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	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))	BDBM349537 (US10207991, Ex. Cpd. No. 53 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O Show InChI InChI=1S/C20H24FNO2/c1-20(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22/h4-8,11,23H,9-10,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	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))	BDBM349537 (US10207991, Ex. Cpd. No. 53 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O Show InChI InChI=1S/C20H24FNO2/c1-20(2,10-9-14-7-8-18(23)19(11-14)24-3)22-12-15-5-4-6-17(21)16(15)13-22/h4-8,11,23H,9-10,12-13H2,1-3H3	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	2.80E+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