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Compile Data Set for Download or QSAR

Found 1226 hits with Last Name = 'workman' and Initial = 'p'   
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
Pirin


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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28n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
More data for this
Ligand-Target Pair
Pirin


(Homo sapiens (Human))
BDBM50234079
PNG
(CHEMBL4096048)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)
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190n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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580 -35.6n/an/an/an/an/a7.525



Piramed Pharma



Assay Description
Mammalian target of rapamycin (mTOR) was assayed by monitoring phosphorylation of GFP-4EBP using a homogeneous time-resolved fluorescence resonance e...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50189412
PNG
(CHEMBL3827983)
Show SMILES CNC(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
Show InChI InChI=1S/C20H17N5O/c1-21-20(26)18-8-7-15-9-22-11-17(19(15)24-18)14-5-3-13(4-6-14)16-10-23-25(2)12-16/h3-12H,1-2H3,(H,21,26)
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n/an/a 0.200n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25041
PNG
(N'-[(1E)-{6-cyanoimidazo[1,2-a]pyridin-3-yl}methyl...)
Show SMILES CN(\N=C\c1cnc2ccc(cn12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C17H14N6O4S/c1-12-3-5-14(23(24)25)7-16(12)28(26,27)21(2)20-10-15-9-19-17-6-4-13(8-18)11-22(15)17/h3-7,9-11H,1-2H3/b20-10+
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n/an/a 0.260n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25036
PNG
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)
Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 0.300n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15131
PNG
(5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1
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n/an/a 0.5n/an/an/an/a7.222



Astex



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


J Mol Biol 367: 882-94 (2007)


Article DOI: 10.1016/j.jmb.2007.01.004
BindingDB Entry DOI: 10.7270/Q29Z934H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50189417
PNG
(CHEMBL3828116)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(N)=O
Show InChI InChI=1S/C19H15N5O/c1-24-11-15(9-22-24)12-2-4-13(5-3-12)16-10-21-8-14-6-7-17(19(20)25)23-18(14)16/h2-11H,1H3,(H2,20,25)
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n/an/a 0.5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50189435
PNG
(CHEMBL3828003)
Show SMILES CNC(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2c1
Show InChI InChI=1S/C21H18N4O/c1-22-21(26)16-7-8-17-10-23-12-20(19(17)9-16)15-5-3-14(4-6-15)18-11-24-25(2)13-18/h3-13H,1-2H3,(H,22,26)
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n/an/a 0.600n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50189434
PNG
(CHEMBL3828221)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)-c1nccn1C
Show InChI InChI=1S/C22H18N6/c1-27-10-9-24-22(27)20-8-7-17-11-23-13-19(21(17)26-20)16-5-3-15(4-6-16)18-12-25-28(2)14-18/h3-14H,1-2H3
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n/an/a 0.710n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25037
PNG
(N'-[(1E)-{6-chloroimidazo[1,2-a]pyridin-3-yl}methy...)
Show SMILES CN(\N=C\c1cnc2ccc(Cl)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C16H14ClN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
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n/an/a 0.770n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50189415
PNG
(CHEMBL3828637)
Show SMILES CNC(=O)c1ccc2cncc(-c3ccc4N(C)S(=O)(=O)Cc4c3)c2n1
Show InChI InChI=1S/C18H16N4O3S/c1-19-18(23)15-5-3-12-8-20-9-14(17(12)21-15)11-4-6-16-13(7-11)10-26(24,25)22(16)2/h3-9H,10H2,1-2H3,(H,19,23)
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n/an/a 0.900n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-C


(Homo sapiens (Human))
BDBM50189428
PNG
(CHEMBL3828458)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)N1CCNC1=O
Show InChI InChI=1S/C21H18N6O/c1-26-13-17(11-24-26)14-2-4-15(5-3-14)18-12-22-10-16-6-7-19(25-20(16)18)27-9-8-23-21(27)28/h2-7,10-13H,8-9H2,1H3,(H,23,28)
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n/an/a 1n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50189447
PNG
(CHEMBL3828553)
Show SMILES COC1CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
Show InChI InChI=1S/C23H22N6O2/c1-28-11-16(9-26-28)14-3-5-15(6-4-14)19-10-25-22(24)18-7-8-20(27-21(18)19)23(30)29-12-17(13-29)31-2/h3-11,17H,12-13H2,1-2H3,(H2,24,25)
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n/an/a 1.10n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50189436
PNG
(CHEMBL3827327)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28)
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n/an/a 1.10n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50189417
PNG
(CHEMBL3828116)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(N)=O
Show InChI InChI=1S/C19H15N5O/c1-24-11-15(9-22-24)12-2-4-13(5-3-12)16-10-21-8-14-6-7-17(19(20)25)23-18(14)16/h2-11H,1H3,(H2,20,25)
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n/an/a 1.5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163767
PNG
(CHEMBL3798944)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C26H30ClN5O2/c1-25(2,34)17-32-16-20(13-30-32)18-3-5-19(6-4-18)21-14-28-15-22(27)23(21)31-11-8-26(9-12-31)7-10-29-24(26)33/h3-6,13-16,34H,7-12,17H2,1-2H3,(H,29,33)
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n/an/a 1.60n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50189415
PNG
(CHEMBL3828637)
Show SMILES CNC(=O)c1ccc2cncc(-c3ccc4N(C)S(=O)(=O)Cc4c3)c2n1
Show InChI InChI=1S/C18H16N4O3S/c1-19-18(23)15-5-3-12-8-20-9-14(17(12)21-15)11-4-6-16-13(7-11)10-26(24,25)22(16)2/h3-9H,10H2,1-2H3,(H,19,23)
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n/an/a 1.70n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163774
PNG
(CHEMBL3797855)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C20H21ClN6O/c21-15-11-23-10-14(12-1-2-13-16(9-12)25-26-18(13)22)17(15)27-7-4-20(5-8-27)3-6-24-19(20)28/h1-2,9-11H,3-8H2,(H,24,28)(H3,22,25,26)
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n/an/a 1.70n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25052
PNG
(3-{6-bromoimidazo[1,2-a]pyridin-3-yl}-1-[(2-methyl...)
Show SMILES Cc1ccc(cc1S(=O)(=O)n1ccc(n1)-c1cnc2ccc(Br)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H12BrN5O4S/c1-11-2-4-13(23(24)25)8-16(11)28(26,27)22-7-6-14(20-22)15-9-19-17-5-3-12(18)10-21(15)17/h2-10H,1H3
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n/an/a 1.80n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 403-12 (2007)


Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50189426
PNG
(CHEMBL3827944)
Show SMILES CC(=O)Nc1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
Show InChI InChI=1S/C20H17N5O/c1-13(26)23-19-8-7-16-9-21-11-18(20(16)24-19)15-5-3-14(4-6-15)17-10-22-25(2)12-17/h3-12H,1-2H3,(H,23,24,26)
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n/an/a 1.80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163857
PNG
(CHEMBL3798853)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cnc(N)c(Cl)c1N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C20H22ClN5O4S/c1-25-15-3-2-12(8-13(15)10-31(25,28)29)14-9-23-18(22)16(21)17(14)26-6-4-20(5-7-26)11-24-19(27)30-20/h2-3,8-9H,4-7,10-11H2,1H3,(H2,22,23)(H,24,27)
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n/an/a 1.90n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50189420
PNG
(CHEMBL3827799)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(=O)N1CCC1
Show InChI InChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-3-5-16(6-4-15)19-13-23-11-17-7-8-20(25-21(17)19)22(28)27-9-2-10-27/h3-8,11-14H,2,9-10H2,1H3
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n/an/a 2n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318595
PNG
(6-Bromo-7-[4-(5-methyl-isoxazol-3-ylmethyl)-pipera...)
Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)-c2ccc(CN3CCOCC3)cc2)no1
Show InChI InChI=1S/C26H30BrN7O2/c1-18-14-21(31-36-18)17-32-6-8-34(9-7-32)24-22(27)15-28-26-23(24)29-25(30-26)20-4-2-19(3-5-20)16-33-10-12-35-13-11-33/h2-5,14-15H,6-13,16-17H2,1H3,(H,28,29,30)
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n/an/a 2n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A expressed in baculovirus system


J Med Chem 53: 5213-28 (2010)


Article DOI: 10.1021/jm100262j
BindingDB Entry DOI: 10.7270/Q2GB251P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase B


(Homo sapiens (Human))
BDBM50443493
PNG
(CHEMBL3087777)
Show SMILES CC(=O)N[C@@H]1CCN(C1)c1c(Cl)cnc2nc([nH]c12)-c1cn(C)nc1C
Show InChI InChI=1S/C17H20ClN7O/c1-9-12(8-24(3)23-9)16-21-14-15(13(18)6-19-17(14)22-16)25-5-4-11(7-25)20-10(2)26/h6,8,11H,4-5,7H2,1-3H3,(H,20,26)(H,19,21,22)/t11-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full-length aurora-B (unknown origin) using 5FAMLRRASLG-CONH2 as substrate after 60 mins


J Med Chem 56: 9122-35 (2013)


Article DOI: 10.1021/jm401115g
BindingDB Entry DOI: 10.7270/Q2R78GPN
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50189436
PNG
(CHEMBL3827327)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28)
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n/an/a 2.10n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163854
PNG
(CHEMBL3799581)
Show SMILES Nc1n[nH]c2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C20H22ClN7O/c21-15-16(28-7-4-20(5-8-28)3-6-24-19(20)29)13(10-25-18(15)23)11-1-2-12-14(9-11)26-27-17(12)22/h1-2,9-10H,3-8H2,(H2,23,25)(H,24,29)(H3,22,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163855
PNG
(CHEMBL3799212)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H24ClN5O3S/c1-26-16-3-2-13(10-14(16)12-31(26,29)30)15-11-25-19(23)17(22)18(15)27-8-5-21(6-9-27)4-7-24-20(21)28/h2-3,10-11H,4-9,12H2,1H3,(H2,23,25)(H,24,28)
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n/an/a 2.30n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163777
PNG
(CHEMBL3799307)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C20H21ClN4O4S/c1-24-17-3-2-13(8-14(17)11-30(24,27)28)15-9-22-10-16(21)18(15)25-6-4-20(5-7-25)12-23-19(26)29-20/h2-3,8-10H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 2.30n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163795
PNG
(CHEMBL3798382)
Show SMILES Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29)
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n/an/a 2.30n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-C


(Homo sapiens (Human))
BDBM50189427
PNG
(CHEMBL3827470)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)N1CCCC1=O
Show InChI InChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-4-6-16(7-5-15)19-13-23-11-17-8-9-20(25-22(17)19)27-10-2-3-21(27)28/h4-9,11-14H,2-3,10H2,1H3
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n/an/a 2.40n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163771
PNG
(CHEMBL3800311)
Show SMILES Clc1cncc(-c2ccc3NS(=O)(=O)Cc3c2)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C20H21ClN4O3S/c21-16-11-22-10-15(13-1-2-17-14(9-13)12-29(27,28)24-17)18(16)25-7-4-20(5-8-25)3-6-23-19(20)26/h1-2,9-11,24H,3-8,12H2,(H,23,26)
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n/an/a 2.40n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163772
PNG
(CHEMBL3797571)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H23ClN4O3S/c1-25-18-3-2-14(10-15(18)13-30(25,28)29)16-11-23-12-17(22)19(16)26-8-5-21(6-9-26)4-7-24-20(21)27/h2-3,10-12H,4-9,13H2,1H3,(H,24,27)
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n/an/a 2.40n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163781
PNG
(CHEMBL3798987)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1S/C20H20ClN5O4S/c1-25-16-3-2-12(8-13(16)11-31(25,29)30)14-9-22-10-15(21)17(14)26-6-4-20(5-7-26)18(27)23-19(28)24-20/h2-3,8-10H,4-7,11H2,1H3,(H2,23,24,27,28)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25018
PNG
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
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n/an/a 2.5n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 5837-44 (2007)


Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25018
PNG
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2
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n/an/a 2.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of p110alpha by SPA assay


Bioorg Med Chem Lett 17: 2438-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.032
BindingDB Entry DOI: 10.7270/Q28053F2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50189421
PNG
(CHEMBL3827118)
Show SMILES COC1CN(C1)C(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1
Show InChI InChI=1S/C23H21N5O2/c1-27-12-18(10-25-27)15-3-5-16(6-4-15)20-11-24-9-17-7-8-21(26-22(17)20)23(29)28-13-19(14-28)30-2/h3-12,19H,13-14H2,1-2H3
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24...


ACS Med Chem Lett 7: 573-8 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163755
PNG
(CHEMBL3799396)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CC1)C(C)=NNC2=O
Show InChI InChI=1S/C21H22ClN5O3S/c1-13-21(20(28)25-24-13)5-7-27(8-6-21)19-16(10-23-11-17(19)22)14-3-4-18-15(9-14)12-31(29,30)26(18)2/h3-4,9-11H,5-8,12H2,1-2H3,(H,25,28)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25056
PNG
(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)
Show SMILES Cc1ccc(cc1S(=O)(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
Show InChI InChI=1S/C17H11ClN4O4S2/c1-10-2-4-12(22(23)24)6-15(10)28(25,26)17-20-13(9-27-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
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n/an/a 2.80n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 403-12 (2007)


Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25050
PNG
(3-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-...)
Show SMILES Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
Show InChI InChI=1S/C18H14ClN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3
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n/an/a 2.80n/an/an/an/a7.422



Astellas Pharma Inc.



Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...


Bioorg Med Chem 15: 403-12 (2007)


Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163789
PNG
(CHEMBL3799824)
Show SMILES CNc1n[nH]c2cc(ccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H23ClN6O/c1-23-19-14-3-2-13(10-17(14)26-27-19)15-11-24-12-16(22)18(15)28-8-5-21(6-9-28)4-7-25-20(21)29/h2-3,10-12H,4-9H2,1H3,(H,25,29)(H2,23,26,27)
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n/an/a 2.80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163784
PNG
(CHEMBL3798804)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c(Cl)c1N1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1S/C22H22ClN7O2/c1-29-12-15(10-26-29)13-2-4-14(5-3-13)16-11-25-19(24)17(23)18(16)30-8-6-22(7-9-30)20(31)27-21(32)28-22/h2-5,10-12H,6-9H2,1H3,(H2,24,25)(H2,27,28,31,32)
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n/an/a 2.80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM25021
PNG
(3-{6-[(dimethylamino)methyl]-4-(morpholin-4-yl)thi...)
Show SMILES CN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
Show InChI InChI=1S/C19H22N4O2S/c1-22(2)12-15-11-16-17(26-15)19(23-6-8-25-9-7-23)21-18(20-16)13-4-3-5-14(24)10-13/h3-5,10-11,24H,6-9,12H2,1-2H3
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n/an/a 3n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318610
PNG
(6-Bromo-7-[4-(5-methyl-isoxazol-3-ylmethyl)-pipera...)
Show SMILES Cc1cc(CN2CCN(CC2)c2c(Br)cnc3nc([nH]c23)N2CCN(Cn3cccn3)CC2)no1
Show InChI InChI=1S/C23H29BrN10O/c1-17-13-18(29-35-17)15-30-5-9-32(10-6-30)21-19(24)14-25-22-20(21)27-23(28-22)33-11-7-31(8-12-33)16-34-4-2-3-26-34/h2-4,13-14H,5-12,15-16H2,1H3,(H,25,27,28)
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A expressed in baculovirus system


J Med Chem 53: 5213-28 (2010)


Article DOI: 10.1021/jm100262j
BindingDB Entry DOI: 10.7270/Q2GB251P
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), alpha Mutant (H1047R)


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), alpha Mutant (E545K)


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/a7.522



Piramed Pharma



Assay Description
Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...


J Med Chem 51: 5522-32 (2008)


Article DOI: 10.1021/jm800295d
BindingDB Entry DOI: 10.7270/Q2222S23
More data for this
Ligand-Target Pair
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