BDBM349572 US10207991, Ex. Cpd. No. 96::US10611728, Example Compound 96

SMILES: CC(=O)Oc1ccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)cc1OC(C)(C)C

InChI Key: InChIKey=NOIWIZKAQFHHLU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 349572   

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))	BDBM349572 (US10207991, Ex. Cpd. No. 96 | US10611728, Example ...) Show SMILES CC(=O)Oc1ccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)cc1OC(C)(C)C Show InChI InChI=1S/C26H35NO5S/c1-18(28)31-23-11-8-19(14-24(23)32-25(2,3)4)12-13-26(5,6)27-16-20-9-10-22(33(7,29)30)15-21(20)17-27/h8-11,14-15H,12-13,16-17H2,1-7H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.60	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 intracellular receptor 2 (Homo sapiens (Human))	BDBM349572 (US10207991, Ex. Cpd. No. 96 | US10611728, Example ...) Show SMILES CC(=O)Oc1ccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)cc1OC(C)(C)C Show InChI InChI=1S/C26H35NO5S/c1-18(28)31-23-11-8-19(14-24(23)32-25(2,3)4)12-13-26(5,6)27-16-20-9-10-22(33(7,29)30)15-21(20)17-27/h8-11,14-15H,12-13,16-17H2,1-7H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.60	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))	BDBM349572 (US10207991, Ex. Cpd. No. 96 | US10611728, Example ...) Show SMILES CC(=O)Oc1ccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)cc1OC(C)(C)C Show InChI InChI=1S/C26H35NO5S/c1-18(28)31-23-11-8-19(14-24(23)32-25(2,3)4)12-13-26(5,6)27-16-20-9-10-22(33(7,29)30)15-21(20)17-27/h8-11,14-15H,12-13,16-17H2,1-7H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.60	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