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PubMed code 21300545

Compile data set for download or QSAR
Found 35 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 D1


(Homo sapiens (Human))
BDBM50337697
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)meth...)
Show SMILES CC(C)NCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)N[C@H](C)C#N
Show InChI InChI=1/C23H25N5O/c1-15(2)25-14-17-7-9-18(10-8-17)21-12-22(28-27-21)19-5-4-6-20(11-19)23(29)26-16(3)13-24/h4-12,15-16,25H,14H2,1-3H3,(H,26,29)(H,27,28)/t16-/s2
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n/an/a 3.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N
Show InChI InChI=1/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/s2
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n/an/a 5.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337698
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)meth...)
Show SMILES CC(C)NCc1ccc(cc1)-c1cc(no1)-c1cccc(c1)C(=O)N[C@H](C)C#N
Show InChI InChI=1/C23H24N4O2/c1-15(2)25-14-17-7-9-18(10-8-17)22-12-21(27-29-22)19-5-4-6-20(11-19)23(28)26-16(3)13-24/h4-12,15-16,25H,14H2,1-3H3,(H,26,28)/t16-/s2
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D3


(Homo sapiens (Human))
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N
Show InChI InChI=1/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/s2
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD3


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337718
PNG
(CHEMBL1683438 | N-(cyanomethyl)-3-(5-(4-((tetrahyd...)
Show SMILES O=C(NCC#N)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1
Show InChI InChI=1S/C24H24N4O3/c25-10-11-26-24(29)20-3-1-2-19(14-20)22-15-23(31-28-22)18-6-4-17(5-7-18)16-27-21-8-12-30-13-9-21/h1-7,14-15,21,27H,8-9,11-13,16H2,(H,26,29)
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D2


(Homo sapiens (Human))
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N
Show InChI InChI=1/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/s2
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n/an/a 48n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD2


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337719
PNG
(CHEMBL1683439 | N-(2-cyanopropan-2-yl)-3-(5-(4-((t...)
Show SMILES CC(C)(NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N
Show InChI InChI=1S/C26H28N4O3/c1-26(2,17-27)29-25(31)21-5-3-4-20(14-21)23-15-24(33-30-23)19-8-6-18(7-9-19)16-28-22-10-12-32-13-11-22/h3-9,14-15,22,28H,10-13,16H2,1-2H3,(H,29,31)
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n/an/a 49n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337696
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(cc1)N1CCN(C)CC1)C#N
Show InChI InChI=1/C24H25N5O2/c1-17(16-25)26-24(30)20-5-3-4-19(14-20)22-15-23(31-27-22)18-6-8-21(9-7-18)29-12-10-28(2)11-13-29/h3-9,14-15,17H,10-13H2,1-2H3,(H,26,30)/t17-/s2
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337695
PNG
(3-(5-(3-bromo-4-(4-methylpiperazin-1-yl)phenyl)-1H...)
Show SMILES CN1CCN(CC1)c1ccc(cc1Br)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC#N
Show InChI InChI=1S/C23H23BrN6O/c1-29-9-11-30(12-10-29)22-6-5-17(14-19(22)24)21-15-20(27-28-21)16-3-2-4-18(13-16)23(31)26-8-7-25/h2-6,13-15H,8-12H2,1H3,(H,26,31)(H,27,28)
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n/an/a 87n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337720
PNG
((S)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N
Show InChI InChI=1/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/s2
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n/an/a 95n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337713
PNG
(CHEMBL1683433 | N-isopropyl-3-(5-(4-((isopropylami...)
Show SMILES CC(C)NCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)NC(C)C
Show InChI InChI=1S/C23H28N4O/c1-15(2)24-14-17-8-10-18(11-9-17)21-13-22(27-26-21)19-6-5-7-20(12-19)23(28)25-16(3)4/h5-13,15-16,24H,14H2,1-4H3,(H,25,28)(H,26,27)
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337705
PNG
(CHEMBL1683423 | N-(cyanomethyl)-3-(5-(4-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC#N
Show InChI InChI=1S/C23H24N6O/c1-28-11-13-29(14-12-28)20-7-5-17(6-8-20)21-16-22(27-26-21)18-3-2-4-19(15-18)23(30)25-10-9-24/h2-8,15-16H,10-14H2,1H3,(H,25,30)(H,26,27)
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337711
PNG
(CHEMBL1683430 | N-(cyanomethyl)-3-(5-(4-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc(no1)-c1cccc(c1)C(=O)NCC#N
Show InChI InChI=1S/C23H23N5O2/c1-27-11-13-28(14-12-27)20-7-5-17(6-8-20)22-16-21(26-30-22)18-3-2-4-19(15-18)23(29)25-10-9-24/h2-8,15-16H,10-14H2,1H3,(H,25,29)
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n/an/a 200n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337704
PNG
(CHEMBL1683422 | N-isopropyl-3-(5-(4-(4-methylpiper...)
Show SMILES CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(N2CCN(C)CC2)c(c1)-c1ccncc1
Show InChI InChI=1S/C29H32N6O/c1-20(2)31-29(36)24-6-4-5-22(17-24)26-19-27(33-32-26)23-7-8-28(35-15-13-34(3)14-16-35)25(18-23)21-9-11-30-12-10-21/h4-12,17-20H,13-16H2,1-3H3,(H,31,36)(H,32,33)
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n/an/a 200n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337717
PNG
(CHEMBL1683437 | N-isopropyl-3-(5-(4-((tetrahydro-2...)
Show SMILES CC(C)NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1
Show InChI InChI=1S/C25H29N3O3/c1-17(2)27-25(29)21-5-3-4-20(14-21)23-15-24(31-28-23)19-8-6-18(7-9-19)16-26-22-10-12-30-13-11-22/h3-9,14-15,17,22,26H,10-13,16H2,1-2H3,(H,27,29)
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n/an/a 220n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337702
PNG
(3-(5-(3-bromo-4-(4-methylpiperazin-1-yl)phenyl)-1H...)
Show SMILES CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(N2CCN(C)CC2)c(Br)c1
Show InChI InChI=1S/C24H28BrN5O/c1-16(2)26-24(31)19-6-4-5-17(13-19)21-15-22(28-27-21)18-7-8-23(20(25)14-18)30-11-9-29(3)10-12-30/h4-8,13-16H,9-12H2,1-3H3,(H,26,31)(H,27,28)
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n/an/a 280n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337715
PNG
(3-(5-(4-((cyclopropylamino)methyl)phenyl)-1H-pyraz...)
Show SMILES CC(C)NC(=O)c1cccc(c1)-c1cc(n[nH]1)-c1ccc(CNC2CC2)cc1
Show InChI InChI=1S/C23H26N4O/c1-15(2)25-23(28)19-5-3-4-18(12-19)22-13-21(26-27-22)17-8-6-16(7-9-17)14-24-20-10-11-20/h3-9,12-13,15,20,24H,10-11,14H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 390n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337714
PNG
(CHEMBL1683311 | N-isopropyl-3-(5-(4-((2-methoxyeth...)
Show SMILES COCCNCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)NC(C)C
Show InChI InChI=1S/C23H28N4O2/c1-16(2)25-23(28)20-6-4-5-19(13-20)22-14-21(26-27-22)18-9-7-17(8-10-18)15-24-11-12-29-3/h4-10,13-14,16,24H,11-12,15H2,1-3H3,(H,25,28)(H,26,27)
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n/an/a 430n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337712
PNG
((S)-N-(1-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-...)
Show SMILES C[C@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(cc1)N1CCN(C)CC1)C#N
Show InChI InChI=1/C24H25N5O2/c1-17(16-25)26-24(30)20-5-3-4-19(14-20)22-15-23(31-27-22)18-6-8-21(9-7-18)29-12-10-28(2)11-13-29/h3-9,14-15,17H,10-13H2,1-2H3,(H,26,30)/t17-/s2
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PubMed
n/an/a 430n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337706
PNG
(CHEMBL1683425 | N-(2-cyanoethyl)-3-(5-(4-(4-methyl...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCCC#N
Show InChI InChI=1S/C24H26N6O/c1-29-12-14-30(15-13-29)21-8-6-18(7-9-21)22-17-23(28-27-22)19-4-2-5-20(16-19)24(31)26-11-3-10-25/h2,4-9,16-17H,3,11-15H2,1H3,(H,26,31)(H,27,28)
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n/an/a 750n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337703
PNG
(CHEMBL1683315 | N-isopropyl-3-(5-(6-(4-methylpiper...)
Show SMILES CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(N2CCN(C)CC2)c(c1)-c1ccccc1
Show InChI InChI=1S/C30H33N5O/c1-21(2)31-30(36)25-11-7-10-23(18-25)27-20-28(33-32-27)24-12-13-29(35-16-14-34(3)15-17-35)26(19-24)22-8-5-4-6-9-22/h4-13,18-21H,14-17H2,1-3H3,(H,31,36)(H,32,33)
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n/an/a 980n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337701
PNG
(CHEMBL1683313 | N-isopropyl-3-(5-(4-(4-methylpiper...)
Show SMILES CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H29N5O/c1-17(2)25-24(30)20-6-4-5-19(15-20)23-16-22(26-27-23)18-7-9-21(10-8-18)29-13-11-28(3)12-14-29/h4-10,15-17H,11-14H2,1-3H3,(H,25,30)(H,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337710
PNG
(3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C23H24F3N5O/c1-30-9-11-31(12-10-30)19-7-5-16(6-8-19)20-14-21(29-28-20)17-3-2-4-18(13-17)22(32)27-15-23(24,25)26/h2-8,13-14H,9-12,15H2,1H3,(H,27,32)(H,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337708
PNG
(CHEMBL1683427 | N-(2-hydroxyethyl)-3-(5-(4-(4-meth...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCCO
Show InChI InChI=1S/C23H27N5O2/c1-27-10-12-28(13-11-27)20-7-5-17(6-8-20)21-16-22(26-25-21)18-3-2-4-19(15-18)23(30)24-9-14-29/h2-8,15-16,29H,9-14H2,1H3,(H,24,30)(H,25,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337709
PNG
(CHEMBL1683428 | N-(2-(dimethylamino)ethyl)-3-(5-(4...)
Show SMILES CN(C)CCNC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H32N6O/c1-29(2)12-11-26-25(32)21-6-4-5-20(17-21)24-18-23(27-28-24)19-7-9-22(10-8-19)31-15-13-30(3)14-16-31/h4-10,17-18H,11-16H2,1-3H3,(H,26,32)(H,27,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337699
PNG
(CHEMBL1683442 | N-(3-(5-(4-(4-methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C22H25N5O/c1-16(28)23-19-5-3-4-18(14-19)22-15-21(24-25-22)17-6-8-20(9-7-17)27-12-10-26(2)11-13-27/h3-9,14-15H,10-13H2,1-2H3,(H,23,28)(H,24,25)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337700
PNG
(3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol...)
Show SMILES CCCNC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H29N5O/c1-3-11-25-24(30)20-6-4-5-19(16-20)23-17-22(26-27-23)18-7-9-21(10-8-18)29-14-12-28(2)13-15-29/h4-10,16-17H,3,11-15H2,1-2H3,(H,25,30)(H,26,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337716
PNG
(CHEMBL1683434 | N-isopropyl-3-(5-(4-((2,2,2-triflu...)
Show SMILES CC(C)NC(=O)c1cccc(c1)-c1cc(n[nH]1)-c1ccc(CNCC(F)(F)F)cc1
Show InChI InChI=1S/C22H23F3N4O/c1-14(2)27-21(30)18-5-3-4-17(10-18)20-11-19(28-29-20)16-8-6-15(7-9-16)12-26-13-22(23,24)25/h3-11,14,26H,12-13H2,1-2H3,(H,27,30)(H,28,29)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50337707
PNG
(CHEMBL1683426 | N-(2-methoxyethyl)-3-(5-(4-(4-meth...)
Show SMILES COCCNC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H29N5O2/c1-28-11-13-29(14-12-28)21-8-6-18(7-9-21)22-17-23(27-26-22)19-4-3-5-20(16-19)24(30)25-10-15-31-2/h3-9,16-17H,10-15H2,1-2H3,(H,25,30)(H,26,27)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PKD1 by TR-FRET assay


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N
Show InChI InChI=1/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/s2
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n/an/a>7.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human CaMK2delta


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Pkd1


(Rattus norvegicus)
BDBM50337697
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)meth...)
Show SMILES CC(C)NCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)N[C@H](C)C#N
Show InChI InChI=1/C23H25N5O/c1-15(2)25-14-17-7-9-18(10-8-17)21-12-22(28-27-21)19-5-4-6-20(11-19)23(29)26-16(3)13-24/h4-12,15-16,25H,14H2,1-3H3,(H,26,29)(H,27,28)/t16-/s2
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n/an/an/an/a 530n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Pkd1


(Rattus norvegicus)
BDBM50337694
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((tetrahydro-2H-pyran...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N
Show InChI InChI=1/C25H26N4O3/c1-17(15-26)28-25(30)21-4-2-3-20(13-21)23-14-24(32-29-23)19-7-5-18(6-8-19)16-27-22-9-11-31-12-10-22/h2-8,13-14,17,22,27H,9-12,16H2,1H3,(H,28,30)/t17-/s2
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n/an/an/an/a 240n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Pkd1


(Rattus norvegicus)
BDBM50337698
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)meth...)
Show SMILES CC(C)NCc1ccc(cc1)-c1cc(no1)-c1cccc(c1)C(=O)N[C@H](C)C#N
Show InChI InChI=1/C23H24N4O2/c1-15(2)25-14-17-7-9-18(10-8-17)22-12-21(27-29-22)19-5-4-6-20(11-19)23(28)26-16(3)13-24/h4-12,15-16,25H,14H2,1-3H3,(H,26,28)/t16-/s2
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n/an/an/an/a 460n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Pkd1


(Rattus norvegicus)
BDBM50337696
PNG
((R)-N-(1-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(cc1)N1CCN(C)CC1)C#N
Show InChI InChI=1/C24H25N5O2/c1-17(16-25)26-24(30)20-5-3-4-19(14-20)22-15-23(31-27-22)18-6-8-21(9-7-18)29-12-10-28(2)11-13-29/h3-9,14-15,17H,10-13H2,1-2H3,(H,26,30)/t17-/s2
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n/an/an/an/a 570n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
Pkd1


(Rattus norvegicus)
BDBM50337695
PNG
(3-(5-(3-bromo-4-(4-methylpiperazin-1-yl)phenyl)-1H...)
Show SMILES CN1CCN(CC1)c1ccc(cc1Br)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC#N
Show InChI InChI=1S/C23H23BrN6O/c1-29-9-11-30(12-10-29)22-6-5-17(14-19(22)24)21-15-20(27-28-21)16-3-2-4-18(13-16)23(31)26-8-7-25/h2-6,13-15H,8-12H2,1H3,(H,26,31)(H,27,28)
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n/an/an/an/a 680n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of PKD1 in rat neonatal ventricular myocytes expressing GFP-HDAC5 assessed as inhibition of phosphorylation-dependent HDAC5 nuclear export


Bioorg Med Chem Lett 21: 1447-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.014
BindingDB Entry DOI: 10.7270/Q2JM29WX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%