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Compile Data Set for Download or QSAR

Found 306 hits with Last Name = 'thai' and Initial = 'c'   
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
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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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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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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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n/an/a 2.70n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163790
PNG
(CHEMBL3799592)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H23ClN6O/c1-27-17-10-13(2-3-14(17)19(23)26-27)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,(H2,23,26)(H,25,29)
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n/an/a 3.20n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163850
PNG
(CHEMBL3798726)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(c1N1CCC2(CCNC2=O)CC1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N4O3S/c1-28-18-3-2-14(10-15(18)13-33(28,31)32)16-11-26-12-17(22(23,24)25)19(16)29-8-5-21(6-9-29)4-7-27-20(21)30/h2-3,10-12H,4-9,13H2,1H3,(H,27,30)
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n/an/a 3.30n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163785
PNG
(CHEMBL3797440)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cnc(N)c(F)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H24FN5O3S/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 3.30n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163773
PNG
(CHEMBL3797317)
Show SMILES CN1c2cc(ccc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H23ClN4O3S/c1-25-18-10-14(2-3-15(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 3.70n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163765
PNG
(CHEMBL3799116)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(F)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H23FN4O3S/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 3.80n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163779
PNG
(CHEMBL3798632)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CC1)NCNC2=O
Show InChI InChI=1S/C22H23ClN6O/c1-28-13-17(10-27-28)15-2-4-16(5-3-15)18-11-24-12-19(23)20(18)29-8-6-22(7-9-29)21(30)25-14-26-22/h2-5,10-13,26H,6-9,14H2,1H3,(H,25,30)
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n/an/a 3.90n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163783
PNG
(CHEMBL3799679)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CC1)NC(=O)CNC2=O
Show InChI InChI=1S/C23H23ClN6O2/c1-29-14-17(10-27-29)15-2-4-16(5-3-15)18-11-25-12-19(24)21(18)30-8-6-23(7-9-30)22(32)26-13-20(31)28-23/h2-5,10-12,14H,6-9,13H2,1H3,(H,26,32)(H,28,31)
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n/an/a 4.20n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163848
PNG
(CHEMBL3800037)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(F)c1N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C20H21FN4O4S/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 4.30n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163782
PNG
(CHEMBL3797495)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CC1)N=C(C)NC2=O
Show InChI InChI=1S/C21H22ClN5O3S/c1-13-24-20(28)21(25-13)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,24,25,28)
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n/an/a 4.5n/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


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens)
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 4.90n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human CDK8 (1 to 464 amino acid residues)/Cyclin C (1 to 283 amino acid residues) by reporter displacement assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK8/Cyclin C


(Homo sapiens)
BDBM50163852
PNG
(CHEMBL3797558)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H25ClN6O/c1-29-14-17(12-28-29)15-2-4-16(5-3-15)18-13-27-21(25)19(24)20(18)30-10-7-23(8-11-30)6-9-26-22(23)31/h2-5,12-14H,6-11H2,1H3,(H2,25,27)(H,26,31)
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n/an/a 5n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163766
PNG
(CHEMBL3798663)
Show SMILES OCCn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C24H26ClN5O2/c25-21-15-26-14-20(22(21)29-9-6-24(7-10-29)5-8-27-23(24)32)18-3-1-17(2-4-18)19-13-28-30(16-19)11-12-31/h1-4,13-16,31H,5-12H2,(H,27,32)
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n/an/a 5.5n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163786
PNG
(CHEMBL3797656)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cnc(N)c(F)c1N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C20H22FN5O4S/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 5.5n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163793
PNG
(CHEMBL3800080)
Show SMILES CN1CNC(=O)C11CCN(CC1)c1c(Cl)cncc1-c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25ClN6O/c1-28-15-26-22(31)23(28)7-9-30(10-8-23)21-19(12-25-13-20(21)24)17-5-3-16(4-6-17)18-11-27-29(2)14-18/h3-6,11-14H,7-10,15H2,1-2H3,(H,26,31)
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n/an/a 5.70n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163780
PNG
(CHEMBL3800210)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1S/C22H21ClN6O2/c1-28-13-16(10-25-28)14-2-4-15(5-3-14)17-11-24-12-18(23)19(17)29-8-6-22(7-9-29)20(30)26-21(31)27-22/h2-5,10-13H,6-9H2,1H3,(H2,26,27,30,31)
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n/an/a 7n/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


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153099
PNG
(CHEMBL3775814)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C24H23N7O/c25-13-17-1-3-19(4-2-17)20-7-11-30(12-8-20)10-6-18-14-29-31(15-18)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,20H,6-8,10-12H2,(H,27,28,32)
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n/an/a 7n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens)
BDBM50073190
PNG
(CHEMBL3408213)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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n/an/a 7n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ligand-induced WNT3A signaling in human PA-1 cells harboring TCF preincubated for 6 hrs before ligand addition measured after 24 hrs by...


J Med Chem 58: 1717-35 (2015)

More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50073190
PNG
(CHEMBL3408213)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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n/an/a 7.20n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK8/Cyclin C


(Homo sapiens)
BDBM50163787
PNG
(CHEMBL3800105)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c(c1N1CCC2(CCNC2=O)CC1)C(F)(F)F
Show InChI InChI=1S/C24H25F3N6O/c1-32-14-17(12-31-32)15-2-4-16(5-3-15)18-13-30-21(28)19(24(25,26)27)20(18)33-10-7-23(8-11-33)6-9-29-22(23)34/h2-5,12-14H,6-11H2,1H3,(H2,28,30)(H,29,34)
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n/an/a 9.30n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163856
PNG
(CHEMBL3797472)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c(Cl)c1N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C22H23ClN6O2/c1-28-12-16(10-27-28)14-2-4-15(5-3-14)17-11-25-20(24)18(23)19(17)29-8-6-22(7-9-29)13-26-21(30)31-22/h2-5,10-12H,6-9,13H2,1H3,(H2,24,25)(H,26,30)
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n/an/a 9.5n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163758
PNG
(CHEMBL3798886)
Show SMILES CN(C)CCC1(CCN(CC1)c1c(Cl)cncc1-c1ccc2N(C)S(=O)(=O)Cc2c1)C#N
Show InChI InChI=1S/C23H28ClN5O2S/c1-27(2)9-6-23(16-25)7-10-29(11-8-23)22-19(13-26-14-20(22)24)17-4-5-21-18(12-17)15-32(30,31)28(21)3/h4-5,12-14H,6-11,15H2,1-3H3
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n/an/a 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


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153101
PNG
(CHEMBL3774665)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C24H26N6O3S/c1-34(32,33)20-4-2-18(3-5-20)19-8-12-29(13-9-19)11-7-17-14-28-30(15-17)23-22-21(6-10-25-23)24(31)27-16-26-22/h2-6,10,14-16,19H,7-9,11-13H2,1H3,(H,26,27,31)
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n/an/a 10n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153161
PNG
(CHEMBL3775545)
Show SMILES COc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C24H26N6O2/c1-32-20-4-2-18(3-5-20)19-8-12-29(13-9-19)11-7-17-14-28-30(15-17)23-22-21(6-10-25-23)24(31)27-16-26-22/h2-6,10,14-16,19H,7-9,11-13H2,1H3,(H,26,27,31)
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n/an/a 10n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50151919
PNG
(CHEMBL3775121)
Show SMILES Fc1ccc(C2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)c(F)c1
Show InChI InChI=1S/C23H22F2N6O/c24-17-1-2-18(20(25)11-17)16-5-9-30(10-6-16)8-4-15-12-29-31(13-15)22-21-19(3-7-26-22)23(32)28-14-27-21/h1-3,7,11-14,16H,4-6,8-10H2,(H,27,28,32)
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n/an/a 11n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) using biotin-H3K27me3 (21 to 44 residues) as substrate preincubated for 15 mins followed by substrate addition m...


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163835
PNG
(CHEMBL3799073)
Show SMILES Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C20H21ClN6O2/c1-26-15-3-2-12(8-13(15)9-25-26)14-10-23-18(22)16(21)17(14)27-6-4-20(5-7-27)11-24-19(28)29-20/h2-3,8-10H,4-7,11H2,1H3,(H2,22,23)(H,24,28)
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n/an/a 11n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163776
PNG
(CHEMBL3799742)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C22H22ClN5O2/c1-27-13-17(10-26-27)15-2-4-16(5-3-15)18-11-24-12-19(23)20(18)28-8-6-22(7-9-28)14-25-21(29)30-22/h2-5,10-13H,6-9,14H2,1H3,(H,25,29)
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n/an/a 11n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163756
PNG
(CHEMBL3798129)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CC1)C(=O)NN=C2C(F)(F)F
Show InChI InChI=1S/C21H19ClF3N5O3S/c1-29-16-3-2-12(8-13(16)11-34(29,32)33)14-9-26-10-15(22)17(14)30-6-4-20(5-7-30)18(21(23,24)25)27-28-19(20)31/h2-3,8-10H,4-7,11H2,1H3,(H,28,31)
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n/an/a 12n/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


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153181
PNG
(CHEMBL3774692)
Show SMILES Nc1nc(cs1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
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n/an/a 12n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens)
BDBM50153181
PNG
(CHEMBL3774692)
Show SMILES Nc1nc(cs1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
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n/an/a 12n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163788
PNG
(CHEMBL3798568)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c(c1N1CCC2(CNC(=O)O2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N6O2/c1-31-12-16(10-30-31)14-2-4-15(5-3-14)17-11-28-20(27)18(23(24,25)26)19(17)32-8-6-22(7-9-32)13-29-21(33)34-22/h2-5,10-12H,6-9,13H2,1H3,(H2,27,28)(H,29,33)
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n/an/a 12n/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


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50152029
PNG
(CHEMBL3775899)
Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C24H25ClN6O/c25-20-3-1-17(2-4-20)13-18-6-10-30(11-7-18)12-8-19-14-29-31(15-19)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,27,28,32)
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n/an/a 14n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153092
PNG
(CHEMBL3775894)
Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)
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n/an/a 14n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163778
PNG
(CHEMBL3800432)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CC1)OC(=O)NC2(C)C
Show InChI InChI=1S/C22H25ClN4O4S/c1-21(2)22(31-20(28)25-21)6-8-27(9-7-22)19-16(11-24-12-17(19)23)14-4-5-18-15(10-14)13-32(29,30)26(18)3/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)
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n/an/a 14n/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


Citation and Details
More data for this
Ligand-Target Pair
CDK8/Cyclin C


(Homo sapiens)
BDBM50163849
PNG
(CHEMBL3797212)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(c1N1CCC2(CCNC2=O)CC1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N5O/c1-31-15-18(12-30-31)16-2-4-17(5-3-16)19-13-28-14-20(24(25,26)27)21(19)32-10-7-23(8-11-32)6-9-29-22(23)33/h2-5,12-15H,6-11H2,1H3,(H,29,33)
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n/an/a 15n/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


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153094
PNG
(CHEMBL3775277)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccncc2)cn1
Show InChI InChI=1S/C22H23N7O/c30-22-19-3-9-24-21(20(19)25-15-26-22)29-14-16(13-27-29)4-10-28-11-5-18(6-12-28)17-1-7-23-8-2-17/h1-3,7-9,13-15,18H,4-6,10-12H2,(H,25,26,30)
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n/an/a 15n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153075
PNG
(CHEMBL3774940)
Show SMILES Clc1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1Cl
Show InChI InChI=1S/C24H24Cl2N6O/c25-20-2-1-17(12-21(20)26)11-16-4-8-31(9-5-16)10-6-18-13-30-32(14-18)23-22-19(3-7-27-23)24(33)29-15-28-22/h1-3,7,12-16H,4-6,8-11H2,(H,28,29,33)
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n/an/a 15n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153076
PNG
(CHEMBL3775516)
Show SMILES FC(F)(F)c1ccc(CC2CCN(CCc3cnn(c3)-c3nccc4c3nc[nH]c4=O)CC2)cc1
Show InChI InChI=1S/C25H25F3N6O/c26-25(27,28)20-3-1-17(2-4-20)13-18-6-10-33(11-7-18)12-8-19-14-32-34(15-19)23-22-21(5-9-29-23)24(35)31-16-30-22/h1-5,9,14-16,18H,6-8,10-13H2,(H,30,31,35)
PDB

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n/an/a 15n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
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