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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
Kd
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Compile Data Set for Download or QSAR
Found
18
hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50015273
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 intracellular receptor 2
(Homo sapiens (Human))
BDBM50584882
(CHEMBL5087121)
Show SMILES
[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(CN1)C2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
390
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584891
(CHEMBL5085823)
Show SMILES
[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r|
Show InChI
UniProtKB/SwissProt
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AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
650
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584891
(CHEMBL5085823)
Show SMILES
[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
710
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584887
(CHEMBL5094034)
Show SMILES
[H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(C1)C(=O)N2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
860
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584886
(CHEMBL5090079)
Show SMILES
[H][C@@]12CC([C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2)S(C)(=O)=O |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584896
(CHEMBL5087295)
Show SMILES
[H][C@]12CN[C@]([H])(C1)[C@@H](C2)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584893
(CHEMBL5083619)
Show SMILES
N[C@@H]1C[C@H](CO)[C@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584888
(CHEMBL5085145)
Show SMILES
N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584883
(CHEMBL5074765)
Show SMILES
[H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584898
(CHEMBL5094130)
Show SMILES
OC(=O)c1cc(-c2ccc(cc2)C2CCNC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584885
(CHEMBL5079653)
Show SMILES
[H][C@]12C[C@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584892
(CHEMBL5077671)
Show SMILES
[H][C@@]12CN(C(=O)OCC)[C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(=O)OCC(=O)N(C)C)C2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584884
(CHEMBL5075741)
Show SMILES
[H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584890
(CHEMBL5079102)
Show SMILES
[H][C@]12CC[C@@]([H])(CNC1)C2(O)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584894
(CHEMBL5076127)
Show SMILES
[H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(C1)C(=O)N2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.90E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584895
(CHEMBL5076678)
Show SMILES
N[C@@H]1C[C@@H]([C@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(O)=O |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584889
(CHEMBL5083773)
Show SMILES
[H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50584897
(CHEMBL5086569)
Show SMILES
[H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(=O)OCC(=O)N(C)C)C(=O)N2 |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
3.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI:
10.7270/Q2611470
More data for this
Ligand-Target Pair
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