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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50006430   
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))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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CHEMBL
MCE
KEGG
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PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C epsilon expressed in Sf-9 cells


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50537677
PNG
(CHEMBL4645592)
Show SMILES CC1CCCN(C1)c1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C18H21N5S2/c1-12-6-5-9-23(10-12)16-14-15(20-17(19)25-14)21-18(22-16)24-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H2,19,20,21,22)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2 expressed in Sf-9 cells


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50537680
PNG
(CHEMBL383421)
Show SMILES Nc1nc2nc(SCc3ccccc3)nc(Cl)c2s1
Show InChI InChI=1S/C12H9ClN4S2/c13-9-8-10(16-11(14)19-8)17-12(15-9)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,15,16,17)
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n/an/a 1.84E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2 expressed in Sf-9 cells


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50537675
PNG
(CHEMBL4648177)
Show SMILES CN(C)c1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C14H15N5S2/c1-19(2)12-10-11(16-13(15)21-10)17-14(18-12)20-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,15,16,17,18)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for inhibition of cGMP-dependent protein kinase from bovine lung


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50537676
PNG
(CHEMBL4646325)
Show SMILES Nc1nc2nc(SCc3ccccc3)nc(N3CCCC3CO)c2s1
Show InChI InChI=1S/C17H19N5OS2/c18-16-19-14-13(25-16)15(22-8-4-7-12(22)9-23)21-17(20-14)24-10-11-5-2-1-3-6-11/h1-3,5-6,12,23H,4,7-10H2,(H2,18,19,20,21)
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n/an/a 3.41E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for inhibition of cGMP-dependent protein kinase from bovine lung


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50537672
PNG
(CHEMBL4638341)
Show SMILES Nc1nc2nc(SCc3ccccc3)nc(NCCO)c2s1
Show InChI InChI=1S/C14H15N5OS2/c15-13-17-12-10(22-13)11(16-6-7-20)18-14(19-12)21-8-9-4-2-1-3-5-9/h1-5,20H,6-8H2,(H3,15,16,17,18,19)
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n/an/a 4.21E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for inhibition of cGMP-dependent protein kinase from bovine lung


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50537679
PNG
(CHEMBL4638902)
Show SMILES Nc1nc2nc(SCc3ccccc3)nc(N3CCN(CC3)c3ccccc3)c2s1
Show InChI InChI=1S/C22H22N6S2/c23-21-24-19-18(30-21)20(26-22(25-19)29-15-16-7-3-1-4-8-16)28-13-11-27(12-14-28)17-9-5-2-6-10-17/h1-10H,11-15H2,(H2,23,24,25,26)
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n/an/a 4.41E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C epsilon expressed in Sf-9 cells


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50537678
PNG
(CHEMBL4639134)
Show SMILES CN1CCN(CC1)c1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C17H20N6S2/c1-22-7-9-23(10-8-22)15-13-14(19-16(18)25-13)20-17(21-15)24-11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,18,19,20,21)
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n/an/a 7.06E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2 expressed in Sf-9 cells


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50537673
PNG
(CHEMBL4637436)
Show SMILES CN(C)CCNc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C16H20N6S2/c1-22(2)9-8-18-13-12-14(19-15(17)24-12)21-16(20-13)23-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H3,17,18,19,20,21)
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n/an/a 8.95E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for inhibition of cGMP-dependent protein kinase from bovine lung


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50537674
PNG
(CHEMBL4649708)
Show SMILES Nc1nc2nc(SCc3ccccc3)nc(NCCN3CCOCC3)c2s1
Show InChI InChI=1S/C18H22N6OS2/c19-17-21-16-14(27-17)15(20-6-7-24-8-10-25-11-9-24)22-18(23-16)26-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H3,19,20,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for inhibition of cGMP-dependent protein kinase from bovine lung


J Med Chem 39: 267-76 (1996)


Article DOI: 10.1016/j.bmcl.2019.126807
BindingDB Entry DOI: 10.7270/Q2SQ8ZFF
More data for this
Ligand-Target Pair