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BDBM349307 US10207991, Ex. Cpd. No. 4::US10611728, Example Compound 4

SMILES: C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)C(F)(F)F

InChI Key: InChIKey=PSSRUTSUVLVFTJ-GFCCVEGCSA-N

Data: 6 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 6 hits for monomerid = 349307   
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))
BDBM349307
PNG
(US10207991, Ex. Cpd. No. 4 | US10611728, Example C...)
Show SMILES C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18Cl2F3N/c1-12(2-3-13-4-7-17(20)18(21)8-13)25-10-14-5-6-16(19(22,23)24)9-15(14)11-25/h4-9,12H,2-3,10-11H2,1H3/t12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20n/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))
BDBM349307
PNG
(US10207991, Ex. Cpd. No. 4 | US10611728, Example C...)
Show SMILES C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18Cl2F3N/c1-12(2-3-13-4-7-17(20)18(21)8-13)25-10-14-5-6-16(19(22,23)24)9-15(14)11-25/h4-9,12H,2-3,10-11H2,1H3/t12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20n/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))
BDBM349307
PNG
(US10207991, Ex. Cpd. No. 4 | US10611728, Example C...)
Show SMILES C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18Cl2F3N/c1-12(2-3-13-4-7-17(20)18(21)8-13)25-10-14-5-6-16(19(22,23)24)9-15(14)11-25/h4-9,12H,2-3,10-11H2,1H3/t12-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20n/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))
BDBM349307
PNG
(US10207991, Ex. Cpd. No. 4 | US10611728, Example C...)
Show SMILES C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18Cl2F3N/c1-12(2-3-13-4-7-17(20)18(21)8-13)25-10-14-5-6-16(19(22,23)24)9-15(14)11-25/h4-9,12H,2-3,10-11H2,1H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
33n/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))
BDBM349307
PNG
(US10207991, Ex. Cpd. No. 4 | US10611728, Example C...)
Show SMILES C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18Cl2F3N/c1-12(2-3-13-4-7-17(20)18(21)8-13)25-10-14-5-6-16(19(22,23)24)9-15(14)11-25/h4-9,12H,2-3,10-11H2,1H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
33n/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))
BDBM349307
PNG
(US10207991, Ex. Cpd. No. 4 | US10611728, Example C...)
Show SMILES C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18Cl2F3N/c1-12(2-3-13-4-7-17(20)18(21)8-13)25-10-14-5-6-16(19(22,23)24)9-15(14)11-25/h4-9,12H,2-3,10-11H2,1H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
33n/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