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Compile Data Set for Download or QSAR

Found 13 hits of kd for UniProtKB: Q13418   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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US Patent
n/an/an/a 430n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM582536
PNG
(US11524945, Compound 8 (Csbl-2))
Show SMILES CCOCCOc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc(c1)C#C
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n/an/an/a 922n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM582532
PNG
(US11524945, Compound 4 (cmpd#4))
Show SMILES COc1cc2ncnc(Nc3cc(cc(c3)C#C)C#C)c2cc1OC
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n/an/an/a 1.55E+3n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM582529
PNG
(US11524945, Compound Erlotinib-4-methylphenyl anal...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(C)c(c3)C#C)c2cc1OCCOC
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n/an/an/a 1.55E+3n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM582535
PNG
(US11524945, Compound 7 (cmpd-#7))
Show SMILES COCCOc1cc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)cc(c1)C#C
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n/an/an/a 2.45E+3n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM582530
PNG
(US11524945, Compound 1 (Csbl-1))
Show SMILES CCOCCOc1cc(Nc2ncnc3cc(OCCOC)ccc23)cc(c1)C#C
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n/an/an/a 2.77E+3n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM582528
PNG
(US11524945, Compound Gefitinib)
Show SMILES COc1cc2ncnc(NC3=CC(Cl)C(F)C=C3)c2cc1OCCCN1CCOCC1 |c:16,t:10|
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n/an/an/a 4.51E+3n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM50078209
PNG
(CHEMBL3414686)
Show SMILES CC(C)CCCC1(C)CCc2cc(c(C)c(C)c2O1)S(N)(=O)=O
Show InChI InChI=1S/C18H29NO3S/c1-12(2)7-6-9-18(5)10-8-15-11-16(23(19,20)21)13(3)14(4)17(15)22-18/h11-12H,6-10H2,1-5H3,(H2,19,20,21)
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n/an/an/a 6.20E+3n/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PH domain of ILK (unknown origin) by surface Plasmon resonance spectroscopy


J Med Chem 58: 2290-8 (2015)


Article DOI: 10.1021/jm501751b
BindingDB Entry DOI: 10.7270/Q20V8FGX
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM582533
PNG
(US11524945, Compound 1 New (cmpd#1new))
Show SMILES COCCOc1ccc2c(Nc3cc(OCCOC)cc(c3)C#C)ncnc2c1
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n/an/an/a 6.85E+3n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM582534
PNG
(US11524945, Compound 2 New (cmpd#2new))
Show SMILES COCCOc1ccc2c(Nc3cc(OCCOCCO)cc(c3)C#C)ncnc2c1
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n/an/an/a 8.00E+3n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM50078259
PNG
(CHEMBL3414669)
Show SMILES CC(C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r|
Show InChI InChI=1S/C18H28O2/c1-12(2)7-6-9-18(5)10-8-15-11-16(19)13(3)14(4)17(15)20-18/h11-12,19H,6-10H2,1-5H3/t18-/m1/s1
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n/an/an/a 8.70E+3n/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PH domain of ILK (unknown origin) by surface Plasmon resonance spectroscopy


J Med Chem 58: 2290-8 (2015)


Article DOI: 10.1021/jm501751b
BindingDB Entry DOI: 10.7270/Q20V8FGX
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM50078207
PNG
(CHEMBL3414688)
Show SMILES CC(C)CCCC1(C)CCc2cc(cc(Br)c2O1)S(N)(=O)=O
Show InChI InChI=1S/C16H24BrNO3S/c1-11(2)5-4-7-16(3)8-6-12-9-13(22(18,19)20)10-14(17)15(12)21-16/h9-11H,4-8H2,1-3H3,(H2,18,19,20)
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n/an/an/a 1.31E+4n/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged PH domain of ILK (unknown origin) by surface Plasmon resonance spectroscopy


J Med Chem 58: 2290-8 (2015)


Article DOI: 10.1021/jm501751b
BindingDB Entry DOI: 10.7270/Q20V8FGX
More data for this
Ligand-Target Pair
Integrin-linked protein kinase


(Homo sapiens (Human))
BDBM582531
PNG
(US11524945, Compound 3 (cmpd#3))
Show SMILES COCCOc1ccc2c(Nc3cc(OCCN4CCOCC4)cc(c3)C#C)ncnc2c1
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n/an/an/a 4.96E+4n/an/an/an/an/a


TBA

Assay Description
Thus, while these compounds were extensively used in studying ILK-mediated cellular and disease processes, their reported inhibitory effects are prob...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2542SFN
More data for this
Ligand-Target Pair