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PubMed code 23673215

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435848
PNG
(CHEMBL2393378)
Show SMILES Fc1ccccc1CSc1nnc(Cn2nnc3ccccc23)o1
Show InChI InChI=1S/C16H12FN5OS/c17-12-6-2-1-5-11(12)10-24-16-20-19-15(23-16)9-22-14-8-4-3-7-13(14)18-21-22/h1-8H,9-10H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435837
PNG
(CHEMBL2393370)
Show SMILES [O-][N+](=O)c1cccc(CSc2nnc(Cn3nnc4ccccc34)o2)c1
Show InChI InChI=1S/C16H12N6O3S/c23-22(24)12-5-3-4-11(8-12)10-26-16-19-18-15(25-16)9-21-14-7-2-1-6-13(14)17-20-21/h1-8H,9-10H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435842
PNG
(CHEMBL2393384)
Show SMILES Fc1cccc(CSc2nnc(Cn3nnc4ccccc34)o2)c1
Show InChI InChI=1S/C16H12FN5OS/c17-12-5-3-4-11(8-12)10-24-16-20-19-15(23-16)9-22-14-7-2-1-6-13(14)18-21-22/h1-8H,9-10H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435844
PNG
(CHEMBL2393382)
Show SMILES COc1ccccc1CSc1nnc(Cn2nnc3ccccc23)o1
Show InChI InChI=1S/C17H15N5O2S/c1-23-15-9-5-2-6-12(15)11-25-17-20-19-16(24-17)10-22-14-8-4-3-7-13(14)18-21-22/h2-9H,10-11H2,1H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435838
PNG
(CHEMBL2393388)
Show SMILES COc1cccc(CSc2nnc(Cn3nnc4ccccc34)o2)c1
Show InChI InChI=1S/C17H15N5O2S/c1-23-13-6-4-5-12(9-13)11-25-17-20-19-16(24-17)10-22-15-8-3-2-7-14(15)18-21-22/h2-9H,10-11H2,1H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435843
PNG
(CHEMBL2393383)
Show SMILES [O-][N+](=O)c1ccccc1CSc1nnc(Cn2nnc3ccccc23)o1
Show InChI InChI=1S/C16H12N6O3S/c23-22(24)13-7-3-1-5-11(13)10-26-16-19-18-15(25-16)9-21-14-8-4-2-6-12(14)17-20-21/h1-8H,9-10H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435841
PNG
(CHEMBL2393385)
Show SMILES Clc1cccc(CSc2nnc(Cn3nnc4ccccc34)o2)c1
Show InChI InChI=1S/C16H12ClN5OS/c17-12-5-3-4-11(8-12)10-24-16-20-19-15(23-16)9-22-14-7-2-1-6-13(14)18-21-22/h1-8H,9-10H2
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n/an/a 8.30E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435833
PNG
(CHEMBL2393374)
Show SMILES COc1ccc(CSc2nnc(Cn3nnc4ccccc34)o2)cc1
Show InChI InChI=1S/C17H15N5O2S/c1-23-13-8-6-12(7-9-13)11-25-17-20-19-16(24-17)10-22-15-5-3-2-4-14(15)18-21-22/h2-9H,10-11H2,1H3
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n/an/a 8.60E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435836
PNG
(CHEMBL2393371)
Show SMILES Fc1ccc(CSc2nnc(Cn3nnc4ccccc34)o2)cc1
Show InChI InChI=1S/C16H12FN5OS/c17-12-7-5-11(6-8-12)10-24-16-20-19-15(23-16)9-22-14-4-2-1-3-13(14)18-21-22/h1-8H,9-10H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435832
PNG
(CHEMBL2393375)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(Cn3nnc4ccccc34)o2)cc1
Show InChI InChI=1S/C16H12N6O3S/c23-22(24)12-7-5-11(6-8-12)10-26-16-19-18-15(25-16)9-21-14-4-2-1-3-13(14)17-20-21/h1-8H,9-10H2
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n/an/a 9.20E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435847
PNG
(CHEMBL2393379)
Show SMILES Clc1ccccc1CSc1nnc(Cn2nnc3ccccc23)o1
Show InChI InChI=1S/C16H12ClN5OS/c17-12-6-2-1-5-11(12)10-24-16-20-19-15(23-16)9-22-14-8-4-3-7-13(14)18-21-22/h1-8H,9-10H2
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n/an/a 9.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435846
PNG
(CHEMBL2393380)
Show SMILES Brc1ccccc1CSc1nnc(Cn2nnc3ccccc23)o1
Show InChI InChI=1S/C16H12BrN5OS/c17-12-6-2-1-5-11(12)10-24-16-20-19-15(23-16)9-22-14-8-4-3-7-13(14)18-21-22/h1-8H,9-10H2
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n/an/a 9.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435845
PNG
(CHEMBL2393381)
Show SMILES Cc1ccccc1CSc1nnc(Cn2nnc3ccccc23)o1
Show InChI InChI=1S/C17H15N5OS/c1-12-6-2-3-7-13(12)11-24-17-20-19-16(23-17)10-22-15-9-5-4-8-14(15)18-21-22/h2-9H,10-11H2,1H3
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n/an/a 1.21E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435840
PNG
(CHEMBL2393386)
Show SMILES Brc1cccc(CSc2nnc(Cn3nnc4ccccc34)o2)c1
Show InChI InChI=1S/C16H12BrN5OS/c17-12-5-3-4-11(8-12)10-24-16-20-19-15(23-16)9-22-14-7-2-1-6-13(14)18-21-22/h1-8H,9-10H2
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n/an/a 1.42E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435839
PNG
(CHEMBL2393387)
Show SMILES Cc1cccc(CSc2nnc(Cn3nnc4ccccc34)o2)c1
Show InChI InChI=1S/C17H15N5OS/c1-12-5-4-6-13(9-12)11-24-17-20-19-16(23-17)10-22-15-8-3-2-7-14(15)18-21-22/h2-9H,10-11H2,1H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435835
PNG
(CHEMBL2393372)
Show SMILES Brc1ccc(CSc2nnc(Cn3nnc4ccccc34)o2)cc1
Show InChI InChI=1S/C16H12BrN5OS/c17-12-7-5-11(6-8-12)10-24-16-20-19-15(23-16)9-22-14-4-2-1-3-13(14)18-21-22/h1-8H,9-10H2
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n/an/a 2.37E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435831
PNG
(CHEMBL2393376)
Show SMILES Clc1ccc(CSc2nnc(Cn3nnc4ccccc34)o2)cc1Cl
Show InChI InChI=1S/C16H11Cl2N5OS/c17-11-6-5-10(7-12(11)18)9-25-16-21-20-15(24-16)8-23-14-4-2-1-3-13(14)19-22-23/h1-7H,8-9H2
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n/an/a 2.85E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435830
PNG
(CHEMBL2393377)
Show SMILES Fc1ccc(CSc2nnc(Cn3nnc4ccccc34)o2)cc1F
Show InChI InChI=1S/C16H11F2N5OS/c17-11-6-5-10(7-12(11)18)9-25-16-21-20-15(24-16)8-23-14-4-2-1-3-13(14)19-22-23/h1-7H,8-9H2
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n/an/a 3.36E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50435834
PNG
(CHEMBL2393373)
Show SMILES Cc1ccc(CSc2nnc(Cn3nnc4ccccc34)o2)cc1
Show InChI InChI=1S/C17H15N5OS/c1-12-6-8-13(9-7-12)11-24-17-20-19-16(23-17)10-22-15-5-3-2-4-14(15)18-21-22/h2-9H,10-11H2,1H3
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n/an/a 3.38E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of FAK assembly (unknown origin) after 20 mins by TRAP-PCR-ELISA


Bioorg Med Chem 21: 3723-9 (2013)


Article DOI: 10.1016/j.bmc.2013.04.043
BindingDB Entry DOI: 10.7270/Q2542PZ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%