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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
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/
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85%
100%
Seq ID
UniProtKB/Swiss-Prot
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Download
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
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Sent Comments
PubMed code
36228968
Compile data set for download or QSAR
Found
21
hits of Enzyme Inhibition Constant Data
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
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609398
(CHEMBL5270452)
Show SMILES
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
21
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609399
(CHEMBL5274311)
Show SMILES
C[C@@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
35
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609398
(CHEMBL5270452)
Show SMILES
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
35
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609395
(CHEMBL5277011)
Show SMILES
O=C(Nc1ccc2scnc2c1)C1CCN(C1)S(=O)(=O)c1ccc2OCCc2c1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
47
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609400
(CHEMBL5274220)
Show SMILES
C[C@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
87
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50606944
(CHEMBL5219691)
Show SMILES
O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
111
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(RAT)
BDBM50609400
(CHEMBL5274220)
Show SMILES
C[C@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
190
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(RAT)
BDBM50606944
(CHEMBL5219691)
Show SMILES
O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
249
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609401
(CHEMBL5289488)
Show SMILES
O=C(Nc1ccc2scnc2c1)C12CC1CN(C2)S(=O)(=O)c1ccc2OCCc2c1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
270
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609408
(CHEMBL5274958)
Show SMILES
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2ncsc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
290
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609405
(CHEMBL5270574)
Show SMILES
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2OCOc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
350
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609407
(CHEMBL5267268)
Show SMILES
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2ncccc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
350
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609397
(CHEMBL5275437)
Show SMILES
O=C(Nc1ccc2scnc2c1)[C@H]1CCN(C1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
440
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(RAT)
BDBM50609408
(CHEMBL5274958)
Show SMILES
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2ncsc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
550
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609396
(CHEMBL5278126)
Show SMILES
O=C(Nc1ccc2scnc2c1)C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
1.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609403
(CHEMBL5276147)
Show SMILES
Cn1cc(c(n1)C(F)(F)F)S(=O)(=O)N1CC[C@H](C1)C(=O)Nc1ccc2scnc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609404
(CHEMBL5266028)
Show SMILES
Cc1ccc(cn1)S(=O)(=O)N1CC[C@H](C1)C(=O)Nc1ccc2scnc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609406
(CHEMBL5283291)
Show SMILES
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(C1)S(=O)(=O)c1ccc2CCCc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human))
BDBM50609402
(CHEMBL5267990)
Show SMILES
Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C1)C(=O)Nc1ccc2scnc2c1 |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human))
BDBM50609400
(CHEMBL5274220)
Show SMILES
C[C@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human))
BDBM50609400
(CHEMBL5274220)
Show SMILES
C[C@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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indicates data uncertainty>20%
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