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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
Kd
EC50
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Articleid
50030145
Compile data set for download or QSAR
Found
4
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
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2
(Homo sapiens (Human))
BDBM50139822
(10-Chloro-6-hydroxy-pyrido[1,2-a]quinolinylium; ch...)
Show SMILES
Oc1cc2cccc[n+]2c2c(Cl)cccc12
Show InChI
InChI=1S/C13H8ClNO/c14-11-6-3-5-10-12(16)8-9-4-1-2-7-15(9)13(10)11/h1-8H/p+1
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
n/a
n/a
3.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of casein kinase I
Bioorg Med Chem Lett
7:
961
-
964
(1997)
Article DOI:
10.1016/S0960-894X(97)00127-3
BindingDB Entry DOI:
10.7270/Q2HM58GZ
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139
(Homo sapiens (Human))
BDBM50139822
(10-Chloro-6-hydroxy-pyrido[1,2-a]quinolinylium; ch...)
Show SMILES
Oc1cc2cccc[n+]2c2c(Cl)cccc12
Show InChI
InChI=1S/C13H8ClNO/c14-11-6-3-5-10-12(16)8-9-4-1-2-7-15(9)13(10)11/h1-8H/p+1
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
n/a
n/a
3.80E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of protein kinase C
Bioorg Med Chem Lett
7:
961
-
964
(1997)
Article DOI:
10.1016/S0960-894X(97)00127-3
BindingDB Entry DOI:
10.7270/Q2HM58GZ
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma
(Homo sapiens (Human))
BDBM50139822
(10-Chloro-6-hydroxy-pyrido[1,2-a]quinolinylium; ch...)
Show SMILES
Oc1cc2cccc[n+]2c2c(Cl)cccc12
Show InChI
InChI=1S/C13H8ClNO/c14-11-6-3-5-10-12(16)8-9-4-1-2-7-15(9)13(10)11/h1-8H/p+1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
n/a
n/a
7.60E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of [Ca(2+)]/Calmodulin dependent kinase II
Bioorg Med Chem Lett
7:
961
-
964
(1997)
Article DOI:
10.1016/S0960-894X(97)00127-3
BindingDB Entry DOI:
10.7270/Q2HM58GZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1
(Homo sapiens (Human))
BDBM50139822
(10-Chloro-6-hydroxy-pyrido[1,2-a]quinolinylium; ch...)
Show SMILES
Oc1cc2cccc[n+]2c2c(Cl)cccc12
Show InChI
InChI=1S/C13H8ClNO/c14-11-6-3-5-10-12(16)8-9-4-1-2-7-15(9)13(10)11/h1-8H/p+1
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
n/a
n/a
>1.00E+6
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Curated by
ChEMBL
Assay Description
Inhibition of cyclin-dependent kinase 1 cdc2
Bioorg Med Chem Lett
7:
961
-
964
(1997)
Article DOI:
10.1016/S0960-894X(97)00127-3
BindingDB Entry DOI:
10.7270/Q2HM58GZ
More data for this
Ligand-Target Pair
*
indicates data uncertainty>20%
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