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PubMed code 25589921

Compile data set for download or QSAR
Found 8 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
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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PubMed
n/an/a 4.80n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay


ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50043014
PNG
(CHEMBL3355023)
Show SMILES CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1
Show InChI InChI=1S/C20H20N8O2/c1-4-22-18-25-14-6-5-13(7-8-20(3,29)16-9-12(2)30-27-16)10-15(14)28(18)19-24-11-23-17(21)26-19/h5-6,9-11,29H,4H2,1-3H3,(H,22,25)(H2,21,23,24,26)/t20-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay


ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50043013
PNG
(CHEMBL3355024)
Show SMILES CNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1
Show InChI InChI=1S/C19H18N8O2/c1-11-8-15(26-29-11)19(2,28)7-6-12-4-5-13-14(9-12)27(17(21-3)24-13)18-23-10-22-16(20)25-18/h4-5,8-10,28H,1-3H3,(H,21,24)(H2,20,22,23,25)/t19-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay


ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50448775
PNG
(CHEMBL3128055)
Show SMILES CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O
Show InChI InChI=1S/C17H19N7O/c1-4-19-15-22-12-6-5-11(7-8-17(2,3)25)9-13(12)24(15)16-21-10-20-14(18)23-16/h5-6,9-10,25H,4H2,1-3H3,(H,19,22)(H2,18,20,21,23)
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n/an/a 66n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay


ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50448771
PNG
(CHEMBL3128042)
Show SMILES COCCNc1nc2ccc(cc2n1-c1ccnc(N)n1)C#CC1(O)CCCCC1
Show InChI InChI=1S/C22H26N6O2/c1-30-14-13-25-21-26-17-6-5-16(7-11-22(29)9-3-2-4-10-22)15-18(17)28(21)19-8-12-24-20(23)27-19/h5-6,8,12,15,29H,2-4,9-10,13-14H2,1H3,(H,25,26)(H2,23,24,27)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay


ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PAK1


(Homo sapiens (Human))
BDBM50043014
PNG
(CHEMBL3355023)
Show SMILES CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1
Show InChI InChI=1S/C20H20N8O2/c1-4-22-18-25-14-6-5-13(7-8-20(3,29)16-9-12(2)30-27-16)10-15(14)28(18)19-24-11-23-17(21)26-19/h5-6,9-11,29H,4H2,1-3H3,(H,22,25)(H2,21,23,24,26)/t20-/m1/s1
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n/an/a>4.50E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay


ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50043013
PNG
(CHEMBL3355024)
Show SMILES CNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#C[C@@](C)(O)c1cc(C)on1
Show InChI InChI=1S/C19H18N8O2/c1-11-8-15(26-29-11)19(2,28)7-6-12-4-5-13-14(9-12)27(17(21-3)24-13)18-23-10-22-16(20)25-18/h4-5,8-10,28H,1-3H3,(H,21,24)(H2,20,22,23,25)/t19-/m1/s1
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PubMed
n/an/a>4.50E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay


ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50448775
PNG
(CHEMBL3128055)
Show SMILES CCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC(C)(C)O
Show InChI InChI=1S/C17H19N7O/c1-4-19-15-22-12-6-5-11(7-8-17(2,3)25)9-13(12)24(15)16-21-10-20-14(18)23-16/h5-6,9-10,25H,4H2,1-3H3,(H,19,22)(H2,18,20,21,23)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain assessed as phosphorylation of FRET peptide substrate at Ser/Thr20 by Zylite assay


ACS Med Chem Lett 6: 17-8 (2015)


Article DOI: 10.1021/ml500445c
BindingDB Entry DOI: 10.7270/Q2TQ6352
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%