BDBM349549 US10207991, Ex. Cpd. No. 64::US10611728, Example Compound 64

SMILES: COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O

InChI Key: InChIKey=KICAOHIBDYKDCJ-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 = 349549   

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))	BDBM349549 (US10207991, Ex. Cpd. No. 64 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O Show InChI InChI=1S/C21H27NO4S/c1-21(2,11-10-15-8-9-18(23)19(12-15)26-3)22-13-16-6-5-7-20(17(16)14-22)27(4,24)25/h5-9,12,23H,10-11,13-14H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.60	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))	BDBM349549 (US10207991, Ex. Cpd. No. 64 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O Show InChI InChI=1S/C21H27NO4S/c1-21(2,11-10-15-8-9-18(23)19(12-15)26-3)22-13-16-6-5-7-20(17(16)14-22)27(4,24)25/h5-9,12,23H,10-11,13-14H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.60	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))	BDBM349549 (US10207991, Ex. Cpd. No. 64 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O Show InChI InChI=1S/C21H27NO4S/c1-21(2,11-10-15-8-9-18(23)19(12-15)26-3)22-13-16-6-5-7-20(17(16)14-22)27(4,24)25/h5-9,12,23H,10-11,13-14H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.60	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))	BDBM349549 (US10207991, Ex. Cpd. No. 64 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O Show InChI InChI=1S/C21H27NO4S/c1-21(2,11-10-15-8-9-18(23)19(12-15)26-3)22-13-16-6-5-7-20(17(16)14-22)27(4,24)25/h5-9,12,23H,10-11,13-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	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))	BDBM349549 (US10207991, Ex. Cpd. No. 64 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O Show InChI InChI=1S/C21H27NO4S/c1-21(2,11-10-15-8-9-18(23)19(12-15)26-3)22-13-16-6-5-7-20(17(16)14-22)27(4,24)25/h5-9,12,23H,10-11,13-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	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))	BDBM349549 (US10207991, Ex. Cpd. No. 64 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O Show InChI InChI=1S/C21H27NO4S/c1-21(2,11-10-15-8-9-18(23)19(12-15)26-3)22-13-16-6-5-7-20(17(16)14-22)27(4,24)25/h5-9,12,23H,10-11,13-14H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	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))	BDBM349549 (US10207991, Ex. Cpd. No. 64 | US10611728, Example ...) Show SMILES COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O Show InChI InChI=1S/C21H27NO4S/c1-21(2,11-10-15-8-9-18(23)19(12-15)26-3)22-13-16-6-5-7-20(17(16)14-22)27(4,24)25/h5-9,12,23H,10-11,13-14H2,1-4H3	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	2.00E+4	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