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Compile Data Set for Download or QSAR

Found 131 hits from Array BioPharma, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496943
PNG
(CHEMBL3236471)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H17FN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496954
PNG
(CHEMBL3236470)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H17ClN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496941
PNG
(CHEMBL3236463)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H18ClN5O3S/c1-3-8-29(27,28)24-17-7-5-15(20)18(14(17)10-21)23-12-4-6-16-13(9-12)19(26)25(2)11-22-16/h4-7,9,11,23-24H,3,8H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496946
PNG
(CHEMBL3236464)
Show SMILES CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496948
PNG
(CHEMBL3236472)
Show SMILES CCCS(=O)(=O)Nc1cccc(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H18N4O4S/c1-3-9-28(25,26)22-17-5-4-6-18(15(17)11-20)27-13-7-8-16-14(10-13)19(24)23(2)12-21-16/h4-8,10,12,22H,3,9H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485033
PNG
(CHEMBL2023502)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cnn(C)c3)nc2n(C)c1=O
Show InChI InChI=1S/C21H21F2N7O3S/c1-4-7-34(32,33)28-16-6-5-15(22)17(18(16)23)14-8-12-9-24-21(26-13-10-25-29(2)11-13)27-19(12)30(3)20(14)31/h5-6,8-11,28H,4,7H2,1-3H3,(H,24,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485028
PNG
(CHEMBL2023501)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O
Show InChI InChI=1S/C22H20F2N6O3S/c1-3-9-34(32,33)29-17-7-6-16(23)18(19(17)24)15-10-13-11-26-22(27-14-5-4-8-25-12-14)28-20(13)30(2)21(15)31/h4-8,10-12,29H,3,9H2,1-2H3,(H,26,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485015
PNG
(CHEMBL2023500)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O
Show InChI InChI=1S/C23H21F2N5O3S/c1-3-11-34(32,33)29-18-10-9-17(24)19(20(18)25)16-12-14-13-26-23(27-15-7-5-4-6-8-15)28-21(14)30(2)22(16)31/h4-10,12-13,29H,3,11H2,1-2H3,(H,26,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50430022
PNG
(CHEMBL2144069)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)
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PC sid
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n/an/a 0.600n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485033
PNG
(CHEMBL2023502)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cnn(C)c3)nc2n(C)c1=O
Show InChI InChI=1S/C21H21F2N7O3S/c1-4-7-34(32,33)28-16-6-5-15(22)17(18(16)23)14-8-12-9-24-21(26-13-10-25-29(2)11-13)27-19(12)30(3)20(14)31/h5-6,8-11,28H,4,7H2,1-3H3,(H,24,26,27)
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n/an/a 1n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496939
PNG
(CHEMBL3236198)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1Cl
Show InChI InChI=1S/C18H18ClFN4O3S/c1-3-8-28(26,27)23-15-7-5-13(20)17(16(15)19)22-11-4-6-14-12(9-11)18(25)24(2)10-21-14/h4-7,9-10,22-23H,3,8H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496940
PNG
(CHEMBL3236459)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(-c4cnn(C)c4)c(=O)c3c2)c1Cl
Show InChI InChI=1S/C21H20ClFN6O3S/c1-3-8-33(31,32)27-18-7-5-16(23)20(19(18)22)26-13-4-6-17-15(9-13)21(30)29(12-24-17)14-10-25-28(2)11-14/h4-7,9-12,26-27H,3,8H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485028
PNG
(CHEMBL2023501)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O
Show InChI InChI=1S/C22H20F2N6O3S/c1-3-9-34(32,33)29-17-7-6-16(23)18(19(17)24)15-10-13-11-26-22(27-14-5-4-8-25-12-14)28-20(13)30(2)21(15)31/h4-8,10-12,29H,3,9H2,1-2H3,(H,26,27,28)
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n/an/a 3n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485024
PNG
(CHEMBL2023342)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCC3CC3)nc2n(C)c1=O
Show InChI InChI=1S/C21H23F2N5O3S/c1-3-8-32(30,31)27-16-7-6-15(22)17(18(16)23)14-9-13-11-25-21(24-10-12-4-5-12)26-19(13)28(2)20(14)29/h6-7,9,11-12,27H,3-5,8,10H2,1-2H3,(H,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496943
PNG
(CHEMBL3236471)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H17FN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496937
PNG
(CHEMBL3233047)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F
Show InChI InChI=1S/C19H20ClFN4O3S/c1-4-9-29(27,28)23-16-8-6-14(20)18(17(16)21)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496944
PNG
(CHEMBL3236193)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncncc3c2)c1Cl
Show InChI InChI=1S/C17H16ClFN4O2S/c1-2-7-26(24,25)23-15-6-4-13(19)17(16(15)18)22-12-3-5-14-11(8-12)9-20-10-21-14/h3-6,8-10,22-23H,2,7H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485015
PNG
(CHEMBL2023500)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O
Show InChI InChI=1S/C23H21F2N5O3S/c1-3-11-34(32,33)29-18-10-9-17(24)19(20(18)25)16-12-14-13-26-23(27-15-7-5-4-6-8-15)28-21(14)30(2)22(16)31/h4-10,12-13,29H,3,11H2,1-2H3,(H,26,27,28)
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n/an/a 5n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50484234
PNG
(CHEMBL1822067)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
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n/an/a 5n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-raf V600E mutant


Bioorg Med Chem Lett 22: 1165-8 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496946
PNG
(CHEMBL3236464)
Show SMILES CCCS(=O)(=O)Nc1cccc(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H19N5O3S/c1-3-9-28(26,27)23-18-6-4-5-17(15(18)11-20)22-13-7-8-16-14(10-13)19(25)24(2)12-21-16/h4-8,10,12,22-23H,3,9H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485025
PNG
(CHEMBL2023497)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCCO)nc2n(C)c1=O
Show InChI InChI=1S/C19H21F2N5O4S/c1-3-8-31(29,30)25-14-5-4-13(20)15(16(14)21)12-9-11-10-23-19(22-6-7-27)24-17(11)26(2)18(12)28/h4-5,9-10,25,27H,3,6-8H2,1-2H3,(H,22,23,24)
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n/an/a 6n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496948
PNG
(CHEMBL3236472)
Show SMILES CCCS(=O)(=O)Nc1cccc(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H18N4O4S/c1-3-9-28(25,26)22-17-5-4-6-18(15(17)11-20)27-13-7-8-16-14(10-13)19(24)23(2)12-21-16/h4-8,10,12,22H,3,9H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485026
PNG
(CHEMBL2023498)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCCCO)nc2n(C)c1=O
Show InChI InChI=1S/C20H23F2N5O4S/c1-3-9-32(30,31)26-15-6-5-14(21)16(17(15)22)13-10-12-11-24-20(23-7-4-8-28)25-18(12)27(2)19(13)29/h5-6,10-11,26,28H,3-4,7-9H2,1-2H3,(H,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485103
PNG
(CHEMBL2030242)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccccc2)c1F
Show InChI InChI=1S/C22H19F2N5O3S/c1-2-10-33(31,32)28-17-9-8-16(23)20(21(17)24)22(30)26-15-12-25-19-11-18(27-29(19)13-15)14-6-4-3-5-7-14/h3-9,11-13,28H,2,10H2,1H3,(H,26,30)
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n/an/a 7n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-raf V600E mutant


Bioorg Med Chem Lett 22: 1165-8 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496942
PNG
(CHEMBL3236467)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1Cl
Show InChI InChI=1S/C19H20ClFN4O3S/c1-4-9-29(27,28)23-16-8-6-14(21)18(17(16)20)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485030
PNG
(CHEMBL2023341)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NC)nc2n(C)c1=O
Show InChI InChI=1S/C18H19F2N5O3S/c1-4-7-29(27,28)24-13-6-5-12(19)14(15(13)20)11-8-10-9-22-18(21-2)23-16(10)25(3)17(11)26/h5-6,8-9,24H,4,7H2,1-3H3,(H,21,22,23)
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n/an/a 9n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485023
PNG
(CHEMBL2023340)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(N)nc2n(C)c1=O
Show InChI InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)23-12-5-4-11(18)13(14(12)19)10-7-9-8-21-17(20)22-15(9)24(2)16(10)25/h4-5,7-8,23H,3,6H2,1-2H3,(H2,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485096
PNG
(CHEMBL2030244)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccc(F)cc2)c1F
Show InChI InChI=1S/C22H18F3N5O3S/c1-2-9-34(32,33)29-17-8-7-16(24)20(21(17)25)22(31)27-15-11-26-19-10-18(28-30(19)12-15)13-3-5-14(23)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,31)
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n/an/a 11n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-raf V600E mutant


Bioorg Med Chem Lett 22: 1165-8 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496952
PNG
(CHEMBL3236466)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F
Show InChI InChI=1S/C19H20F2N4O3S/c1-4-9-29(27,28)23-16-8-6-14(20)18(17(16)21)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496935
PNG
(CHEMBL3236196)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(NC)c3c2)c1Cl
Show InChI InChI=1S/C18H19ClFN5O2S/c1-3-8-28(26,27)25-15-7-5-13(20)17(16(15)19)24-11-4-6-14-12(9-11)18(21-2)23-10-22-14/h4-7,9-10,24-25H,3,8H2,1-2H3,(H,21,22,23)
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n/an/a 11n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496936
PNG
(CHEMBL3236462)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F
Show InChI InChI=1S/C18H18ClFN4O3S/c1-3-8-28(26,27)23-15-7-5-13(19)17(16(15)20)22-11-4-6-14-12(9-11)18(25)24(2)10-21-14/h4-7,9-10,22-23H,3,8H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485097
PNG
(CHEMBL2030245)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2cccnc2)c1F
Show InChI InChI=1S/C21H18F2N6O3S/c1-2-8-33(31,32)28-16-6-5-15(22)19(20(16)23)21(30)26-14-11-25-18-9-17(27-29(18)12-14)13-4-3-7-24-10-13/h3-7,9-12,28H,2,8H2,1H3,(H,26,30)
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n/an/a 13n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-raf V600E mutant


Bioorg Med Chem Lett 22: 1165-8 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485108
PNG
(CHEMBL2030246)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C20H19F2N7O3S/c1-3-6-33(31,32)27-15-5-4-14(21)18(19(15)22)20(30)25-13-9-23-17-7-16(26-29(17)11-13)12-8-24-28(2)10-12/h4-5,7-11,27H,3,6H2,1-2H3,(H,25,30)
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n/an/a 13n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-raf V600E mutant


Bioorg Med Chem Lett 22: 1165-8 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485029
PNG
(CHEMBL2023334)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnccc2n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C25H23F2N3O3S/c1-2-14-34(32,33)29-21-9-8-20(26)23(24(21)27)19-15-18-16-28-12-10-22(18)30(25(19)31)13-11-17-6-4-3-5-7-17/h3-10,12,15-16,29H,2,11,13-14H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496954
PNG
(CHEMBL3236470)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H17ClN4O4S/c1-3-8-29(26,27)23-17-7-5-15(20)18(14(17)10-21)28-12-4-6-16-13(9-12)19(25)24(2)11-22-16/h4-7,9,11,23H,3,8H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485027
PNG
(CHEMBL2023499)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O
Show InChI InChI=1S/C22H25F2N5O4S/c1-3-10-34(31,32)28-17-5-4-16(23)18(19(17)24)15-11-13-12-25-22(26-14-6-8-33-9-7-14)27-20(13)29(2)21(15)30/h4-5,11-12,14,28H,3,6-10H2,1-2H3,(H,25,26,27)
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n/an/a 15n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant assessed as reduction in incorporation of radiolabeled phosphate from [gamma-33P]ATP into FSBA-modified ...


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496938
PNG
(CHEMBL3236195)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(OC)c3c2)c1Cl
Show InChI InChI=1S/C18H18ClFN4O3S/c1-3-8-28(25,26)24-15-7-5-13(20)17(16(15)19)23-11-4-6-14-12(9-11)18(27-2)22-10-21-14/h4-7,9-10,23-24H,3,8H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496941
PNG
(CHEMBL3236463)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N
Show InChI InChI=1S/C19H18ClN5O3S/c1-3-8-29(27,28)24-17-7-5-15(20)18(14(17)10-21)23-12-4-6-16-13(9-12)19(26)25(2)11-22-16/h4-7,9,11,23-24H,3,8H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496933
PNG
(CHEMBL3236460)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(Cc4ccccc4)c(=O)c3c2)c1Cl
Show InChI InChI=1S/C24H22ClFN4O3S/c1-2-12-34(32,33)29-21-11-9-19(26)23(22(21)25)28-17-8-10-20-18(13-17)24(31)30(15-27-20)14-16-6-4-3-5-7-16/h3-11,13,15,28-29H,2,12,14H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485103
PNG
(CHEMBL2030242)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2ccccc2)c1F
Show InChI InChI=1S/C22H19F2N5O3S/c1-2-10-33(31,32)28-17-9-8-16(23)20(21(17)24)22(30)26-15-12-25-19-11-18(27-29(19)13-15)14-6-4-3-5-7-14/h3-9,11-13,28H,2,10H2,1H3,(H,26,30)
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n/an/a 17n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-raf V600E mutant-mediated Erk phosphorylation in human Malme3 cells


Bioorg Med Chem Lett 22: 1165-8 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496940
PNG
(CHEMBL3236459)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(-c4cnn(C)c4)c(=O)c3c2)c1Cl
Show InChI InChI=1S/C21H20ClFN6O3S/c1-3-8-33(31,32)27-18-7-5-16(23)20(19(18)22)26-13-4-6-17-15(9-13)21(30)29(12-24-17)14-10-25-28(2)11-14/h4-7,9-12,26-27H,3,8H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50484234
PNG
(CHEMBL1822067)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
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n/an/a 19n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-raf V600E mutant-mediated Erk phosphorylation in human Malme3 cells


Bioorg Med Chem Lett 22: 1165-8 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496951
PNG
(CHEMBL3236461)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F
Show InChI InChI=1S/C18H18F2N4O3S/c1-3-8-28(26,27)23-15-7-5-13(19)17(16(15)20)22-11-4-6-14-12(9-11)18(25)24(2)10-21-14/h4-7,9-10,22-23H,3,8H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485104
PNG
(CHEMBL2030243)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2cccc(F)c2)c1F
Show InChI InChI=1S/C22H18F3N5O3S/c1-2-8-34(32,33)29-17-7-6-16(24)20(21(17)25)22(31)27-15-11-26-19-10-18(28-30(19)12-15)13-4-3-5-14(23)9-13/h3-7,9-12,29H,2,8H2,1H3,(H,27,31)
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n/an/a 19n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-raf V600E mutant


Bioorg Med Chem Lett 22: 1165-8 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496932
PNG
(CHEMBL3236194)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3nccnc3c2)c1Cl
Show InChI InChI=1S/C17H16ClFN4O2S/c1-2-9-26(24,25)23-14-6-4-12(19)17(16(14)18)22-11-3-5-13-15(10-11)21-8-7-20-13/h3-8,10,22-23H,2,9H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496934
PNG
(CHEMBL3236468)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(N(CC)c2ccc3ncn(C)c(=O)c3c2)c1F
Show InChI InChI=1S/C20H22F2N4O3S/c1-4-10-30(28,29)24-17-9-7-15(21)19(18(17)22)26(5-2)13-6-8-16-14(11-13)20(27)25(3)12-23-16/h6-9,11-12,24H,4-5,10H2,1-3H3
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n/an/a 26n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant (unknown origin)


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50496939
PNG
(CHEMBL3236198)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1Cl
Show InChI InChI=1S/C18H18ClFN4O3S/c1-3-8-28(26,27)23-15-7-5-13(20)17(16(15)19)22-11-4-6-14-12(9-11)18(25)24(2)10-21-14/h4-7,9-10,22-23H,3,8H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485097
PNG
(CHEMBL2030245)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(nn3c2)-c2cccnc2)c1F
Show InChI InChI=1S/C21H18F2N6O3S/c1-2-8-33(31,32)28-16-6-5-15(22)19(20(16)23)21(30)26-14-11-25-18-9-17(27-29(18)12-14)13-4-3-7-24-10-13/h3-7,9-12,28H,2,8H2,1H3,(H,26,30)
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n/an/a 27n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-raf V600E mutant-mediated Erk phosphorylation in human Malme3 cells


Bioorg Med Chem Lett 22: 1165-8 (2012)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM50430022
PNG
(CHEMBL2144069)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1
Show InChI InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)
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PC cid
PC sid
PDB
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n/an/a 27n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf V600E mutant in human Malme-3M cells assessed as basal ERK phosphorylation


Bioorg Med Chem Lett 24: 1923-7 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
BRAF/CRAF


(Homo sapiens (Human))
BDBM50485024
PNG
(CHEMBL2023342)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(NCC3CC3)nc2n(C)c1=O
Show InChI InChI=1S/C21H23F2N5O3S/c1-3-8-32(30,31)27-16-7-6-15(22)17(18(16)23)14-9-13-11-25-21(24-10-12-4-5-12)26-19(13)28(2)20(14)29/h6-7,9,11-12,27H,3-5,8,10H2,1-2H3,(H,24,25,26)
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n/an/a 27n/an/an/an/an/an/a



Array BioPharma, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length B-Raf V600E mutant in human MALME-3M cells assessed as reduction in basal ERK1/2 phosphorylation incubated for 1 hr


Bioorg Med Chem Lett 22: 3387-91 (2012)

More data for this
Ligand-Target Pair
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