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BDBM349584 US10207991, Ex. Cpd. No. 109::US10611728, Example Compound 109

SMILES: CC(C)(CCc1ccc(Cl)c(Cl)c1)N1Cc2cccc(N3CCNCC3)c2C1

InChI Key: InChIKey=PTUWOVNKEBSQFQ-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 = 349584   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM349584
PNG
(US10207991, Ex. Cpd. No. 109 | US10611728, Example...)
Show SMILES CC(C)(CCc1ccc(Cl)c(Cl)c1)N1Cc2cccc(N3CCNCC3)c2C1
Show InChI InChI=1S/C23H29Cl2N3/c1-23(2,9-8-17-6-7-20(24)21(25)14-17)28-15-18-4-3-5-22(19(18)16-28)27-12-10-26-11-13-27/h3-7,14,26H,8-13,15-16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
31n/an/an/an/an/an/an/an/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))
BDBM349584
PNG
(US10207991, Ex. Cpd. No. 109 | US10611728, Example...)
Show SMILES CC(C)(CCc1ccc(Cl)c(Cl)c1)N1Cc2cccc(N3CCNCC3)c2C1
Show InChI InChI=1S/C23H29Cl2N3/c1-23(2,9-8-17-6-7-20(24)21(25)14-17)28-15-18-4-3-5-22(19(18)16-28)27-12-10-26-11-13-27/h3-7,14,26H,8-13,15-16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
31n/an/an/an/an/an/an/an/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))
BDBM349584
PNG
(US10207991, Ex. Cpd. No. 109 | US10611728, Example...)
Show SMILES CC(C)(CCc1ccc(Cl)c(Cl)c1)N1Cc2cccc(N3CCNCC3)c2C1
Show InChI InChI=1S/C23H29Cl2N3/c1-23(2,9-8-17-6-7-20(24)21(25)14-17)28-15-18-4-3-5-22(19(18)16-28)27-12-10-26-11-13-27/h3-7,14,26H,8-13,15-16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
31n/an/an/an/an/an/an/an/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