BDBM349524 US10207991, Ex. Cpd. No. 40::US10611728, Example Compound 40

SMILES: CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C

InChI Key: InChIKey=AWAWHJXFEZNWPV-GOSISDBHSA-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 = 349524   

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 non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM349524 (US10207991, Ex. Cpd. No. 40 | US10611728, Example ...) Show SMILES CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r| Show InChI InChI=1S/C25H33NO4/c1-16(2)29-22-9-8-19(10-25(22)30-17(3)4)7-6-18(5)26-13-20-11-23-24(28-15-27-23)12-21(20)14-26/h8-12,16-18H,6-7,13-15H2,1-5H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	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))	BDBM349524 (US10207991, Ex. Cpd. No. 40 | US10611728, Example ...) Show SMILES CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r| Show InChI InChI=1S/C25H33NO4/c1-16(2)29-22-9-8-19(10-25(22)30-17(3)4)7-6-18(5)26-13-20-11-23-24(28-15-27-23)12-21(20)14-26/h8-12,16-18H,6-7,13-15H2,1-5H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	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))	BDBM349524 (US10207991, Ex. Cpd. No. 40 | US10611728, Example ...) Show SMILES CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r| Show InChI InChI=1S/C25H33NO4/c1-16(2)29-22-9-8-19(10-25(22)30-17(3)4)7-6-18(5)26-13-20-11-23-24(28-15-27-23)12-21(20)14-26/h8-12,16-18H,6-7,13-15H2,1-5H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	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))	BDBM349524 (US10207991, Ex. Cpd. No. 40 | US10611728, Example ...) Show SMILES CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r| Show InChI InChI=1S/C25H33NO4/c1-16(2)29-22-9-8-19(10-25(22)30-17(3)4)7-6-18(5)26-13-20-11-23-24(28-15-27-23)12-21(20)14-26/h8-12,16-18H,6-7,13-15H2,1-5H3/t18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.90	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 intracellular receptor 2 (Homo sapiens (Human))	BDBM349524 (US10207991, Ex. Cpd. No. 40 | US10611728, Example ...) Show SMILES CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r| Show InChI InChI=1S/C25H33NO4/c1-16(2)29-22-9-8-19(10-25(22)30-17(3)4)7-6-18(5)26-13-20-11-23-24(28-15-27-23)12-21(20)14-26/h8-12,16-18H,6-7,13-15H2,1-5H3/t18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.90	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))	BDBM349524 (US10207991, Ex. Cpd. No. 40 | US10611728, Example ...) Show SMILES CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r| Show InChI InChI=1S/C25H33NO4/c1-16(2)29-22-9-8-19(10-25(22)30-17(3)4)7-6-18(5)26-13-20-11-23-24(28-15-27-23)12-21(20)14-26/h8-12,16-18H,6-7,13-15H2,1-5H3/t18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.90	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
Melanin-concentrating hormone receptor 2/HERG (Homo sapiens (Human))	BDBM349524 (US10207991, Ex. Cpd. No. 40 | US10611728, Example ...) Show SMILES CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r| Show InChI InChI=1S/C25H33NO4/c1-16(2)29-22-9-8-19(10-25(22)30-17(3)4)7-6-18(5)26-13-20-11-23-24(28-15-27-23)12-21(20)14-26/h8-12,16-18H,6-7,13-15H2,1-5H3/t18-/m1/s1	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	350	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