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BDBM349507 US10207991, Ex. Cpd. No. 22::US10611728, Example Compound 22

SMILES: C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1

InChI Key: InChIKey=WXZVOQCMUCSBIN-CYBMUJFWSA-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 = 349507   
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))
BDBM349507
PNG
(US10207991, Ex. Cpd. No. 22 | US10611728, Example ...)
Show SMILES C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
Show InChI InChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3/t13-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
23n/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
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM349507
PNG
(US10207991, Ex. Cpd. No. 22 | US10611728, Example ...)
Show SMILES C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
Show InChI InChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3/t13-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
23n/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))
BDBM349507
PNG
(US10207991, Ex. Cpd. No. 22 | US10611728, Example ...)
Show SMILES C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
Show InChI InChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3/t13-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
23n/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 non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM349507
PNG
(US10207991, Ex. Cpd. No. 22 | US10611728, Example ...)
Show SMILES C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
Show InChI InChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
44n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM349507
PNG
(US10207991, Ex. Cpd. No. 22 | US10611728, Example ...)
Show SMILES C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
Show InChI InChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
44n/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 non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM349507
PNG
(US10207991, Ex. Cpd. No. 22 | US10611728, Example ...)
Show SMILES C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
Show InChI InChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
44n/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
Melanin-concentrating hormone receptor 2/HERG


(Homo sapiens (Human))
BDBM349507
PNG
(US10207991, Ex. Cpd. No. 22 | US10611728, Example ...)
Show SMILES C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
Show InChI InChI=1S/C18H19F2N/c1-13(2-3-14-4-7-17(19)8-5-14)21-11-15-6-9-18(20)10-16(15)12-21/h4-10,13H,2-3,11-12H2,1H3/t13-/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/an/a 350n/an/an/an/an/an/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