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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'and' and Initial = 'cc'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Casein kinase I isoform alpha/delta/epsilon/gamma-1/gamma-2


(Homo sapiens (Human))
BDBM50139822
PNG
(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
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n/an/a 3.30E+4n/an/an/an/an/an/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
PNG
(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
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n/an/a 3.80E+4n/an/an/an/an/an/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
PNG
(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
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n/an/a 7.60E+5n/an/an/an/an/an/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
PNG
(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
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n/an/a>1.00E+6n/an/an/an/an/an/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
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50592357
PNG
(CHEMBL5185685)
Show SMILES CCOC(=O)Nc1cc(F)c(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 50n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50592358
PNG
(CHEMBL5172000)
Show SMILES CCOC(=O)Nc1ccc2[nH]c(cc2c1)-c1ccc(OC)cc1
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n/an/an/an/a 8.59E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50592359
PNG
(CHEMBL5174263)
Show SMILES COc1ccc2N[C@H](C(C)C)[C@@H](C)[C@H](NC(=O)OCc3ccccc3)c2c1 |r|
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n/an/an/an/a 2.23E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 5


(Homo sapiens (Human))
BDBM50592360
PNG
(CHEMBL4549229)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(nc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 540n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50592356
PNG
(CHEMBL4458793)
Show SMILES Nc1c(F)c(NCc2ccc(cc2)C(F)(F)F)ccc1NC(=O)OC1CC1
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n/an/an/an/a 18n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50592357
PNG
(CHEMBL5185685)
Show SMILES CCOC(=O)Nc1cc(F)c(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 790n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50592360
PNG
(CHEMBL4549229)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(nc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 3.36E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 4


(Homo sapiens (Human))
BDBM50592355
PNG
(CHEMBL5200636)
Show SMILES Nc1c(F)c(NCc2ncc(cc2F)C(F)(F)F)c(F)c(F)c1NC(=O)OC1CC1
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n/an/an/an/a 320n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 4


(Homo sapiens (Human))
BDBM50592356
PNG
(CHEMBL4458793)
Show SMILES Nc1c(F)c(NCc2ccc(cc2)C(F)(F)F)ccc1NC(=O)OC1CC1
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n/an/an/an/a 910n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 4


(Homo sapiens (Human))
BDBM50592357
PNG
(CHEMBL5185685)
Show SMILES CCOC(=O)Nc1cc(F)c(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 87n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 4


(Homo sapiens (Human))
BDBM50592360
PNG
(CHEMBL4549229)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(nc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 660n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 5


(Homo sapiens (Human))
BDBM50592355
PNG
(CHEMBL5200636)
Show SMILES Nc1c(F)c(NCc2ncc(cc2F)C(F)(F)F)c(F)c(F)c1NC(=O)OC1CC1
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n/an/an/an/a 3.78E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 5


(Homo sapiens (Human))
BDBM50592356
PNG
(CHEMBL4458793)
Show SMILES Nc1c(F)c(NCc2ccc(cc2)C(F)(F)F)ccc1NC(=O)OC1CC1
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n/an/an/an/a 3.78E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 5


(Homo sapiens (Human))
BDBM50592357
PNG
(CHEMBL5185685)
Show SMILES CCOC(=O)Nc1cc(F)c(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 1.06E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50592356
PNG
(CHEMBL4458793)
Show SMILES Nc1c(F)c(NCc2ccc(cc2)C(F)(F)F)ccc1NC(=O)OC1CC1
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n/an/an/an/a 3.03E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50592355
PNG
(CHEMBL5200636)
Show SMILES Nc1c(F)c(NCc2ncc(cc2F)C(F)(F)F)c(F)c(F)c1NC(=O)OC1CC1
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n/an/an/an/a 1.13E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
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n/an/an/an/a 980n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50143558
PNG
(CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
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n/an/an/an/a 4.21E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50592355
PNG
(CHEMBL5200636)
Show SMILES Nc1c(F)c(NCc2ncc(cc2F)C(F)(F)F)c(F)c(F)c1NC(=O)OC1CC1
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n/an/an/an/a 1.64E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128841
BindingDB Entry DOI: 10.7270/Q2571H05
More data for this
Ligand-Target Pair