BDBM349578 US10207991, Ex. Cpd. No. 103::US10611728, Example Compound 103

SMILES: COc1cccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)c1

InChI Key: InChIKey=FRQLLZUIPUDEIZ-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 = 349578   

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))	BDBM349578 (US10207991, Ex. Cpd. No. 103 | US10611728, Example...) Show SMILES COc1cccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)c1 Show InChI InChI=1S/C21H27NO3S/c1-21(2,11-10-16-6-5-7-19(12-16)25-3)22-14-17-8-9-20(26(4,23)24)13-18(17)15-22/h5-9,12-13H,10-11,14-15H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	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))	BDBM349578 (US10207991, Ex. Cpd. No. 103 | US10611728, Example...) Show SMILES COc1cccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)c1 Show InChI InChI=1S/C21H27NO3S/c1-21(2,11-10-16-6-5-7-19(12-16)25-3)22-14-17-8-9-20(26(4,23)24)13-18(17)15-22/h5-9,12-13H,10-11,14-15H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	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))	BDBM349578 (US10207991, Ex. Cpd. No. 103 | US10611728, Example...) Show SMILES COc1cccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)c1 Show InChI InChI=1S/C21H27NO3S/c1-21(2,11-10-16-6-5-7-19(12-16)25-3)22-14-17-8-9-20(26(4,23)24)13-18(17)15-22/h5-9,12-13H,10-11,14-15H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	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