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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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Found
30
hits Enz. Inhib. hit(s) with all data for entry = 50015808
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589709
(CHEMBL5173504)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.40
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589713
(CHEMBL5194064)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.80
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589707
(CHEMBL5171607)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
7.70
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589716
(CHEMBL5173926)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(I)c2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
7.90
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589713
(CHEMBL5194064)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
8.10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589715
(CHEMBL5198312)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
8.10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589708
(CHEMBL5186452)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
9.80
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589714
(CHEMBL5203770)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
9.90
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589704
(CHEMBL5171303)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589712
(CHEMBL5196435)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
12
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589715
(CHEMBL5198312)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
13
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
PDB
Article
PubMed
14
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589717
(CHEMBL5176294)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(I)c2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
15
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589706
(CHEMBL5172461)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
17
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589717
(CHEMBL5176294)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(I)c2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
17
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589705
(CHEMBL5191856)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
19
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589707
(CHEMBL5171607)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
22
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589710
(CHEMBL5195262)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
22
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589706
(CHEMBL5172461)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
25
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589709
(CHEMBL5173504)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
26
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589705
(CHEMBL5191856)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
33
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(RAT)
BDBM50589711
(CHEMBL5183643)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
37
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589704
(CHEMBL5171303)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
42
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589708
(CHEMBL5186452)
Show SMILES
O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
45
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589716
(CHEMBL5173926)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(I)c2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
74
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
UniProtKB/SwissProt
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PC cid
PC sid
PDB
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Patents
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Article
PubMed
114
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589711
(CHEMBL5183643)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
116
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589712
(CHEMBL5196435)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
138
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589714
(CHEMBL5203770)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
148
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50589710
(CHEMBL5195262)
Show SMILES
O[C@H]1CCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
371
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d2md00099g
BindingDB Entry DOI:
10.7270/Q22B930B
More data for this
Ligand-Target Pair