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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%
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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Found
5
hits with Last Name = 'chan' and Initial = 'cb'
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
Trace amine-associated receptor 1
(Homo sapiens (Human))
BDBM29135
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES
NCCc1ccc(O)cc1
Show InChI
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
n/a
n/a
990
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jnatprod.1c00381
BindingDB Entry DOI:
10.7270/Q2KS6WKG
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1
(Rattus norvegicus (Rat))
BDBM29135
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES
NCCc1ccc(O)cc1
Show InChI
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
n/a
n/a
30
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jnatprod.1c00381
BindingDB Entry DOI:
10.7270/Q2KS6WKG
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Homo sapiens (Human))
BDBM50601684
(CHEMBL5169925)
Show SMILES
CNCCc1ccc(O)cc1
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
6.60E+3
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jnatprod.1c00381
BindingDB Entry DOI:
10.7270/Q2KS6WKG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human))
BDBM50601684
(CHEMBL5169925)
Show SMILES
CNCCc1ccc(O)cc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.24E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jnatprod.1c00381
BindingDB Entry DOI:
10.7270/Q2KS6WKG
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1
(Mus musculus (Mouse))
BDBM29135
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES
NCCc1ccc(O)cc1
Show InChI
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
n/a
n/a
280
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jnatprod.1c00381
BindingDB Entry DOI:
10.7270/Q2KS6WKG
More data for this
Ligand-Target Pair
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