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Compile Data Set for Download or QSAR

Found 536 hits with Last Name = 'voegtli' and Initial = 'wc'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase B-raf


(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)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484212
PNG
(CHEMBL1822264)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccs4)c3F)cc12
Show InChI InChI=1S/C18H13F2N5O4S2/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24)
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n/an/a 0.200n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485033
PNG
(CHEMBL2023502)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cnn(C)c3)nc2n(C)c1=O |(13.75,-37.45,;12.42,-36.67,;11.08,-37.45,;9.76,-36.68,;8.98,-35.34,;10.52,-35.34,;8.42,-37.46,;7.09,-36.69,;7.08,-35.14,;5.74,-34.38,;4.42,-35.14,;3.08,-34.38,;4.42,-36.69,;5.75,-37.46,;5.75,-39,;3.08,-37.46,;1.76,-36.68,;.43,-37.45,;-.9,-36.67,;-2.23,-37.44,;-2.23,-38.98,;-3.57,-39.75,;-4.82,-38.87,;-4.86,-37.33,;-6.33,-36.88,;-7.21,-38.15,;-8.75,-38.18,;-6.28,-39.37,;-.91,-39.74,;.42,-38.98,;1.76,-39.75,;1.76,-41.29,;3.09,-38.99,;4.42,-39.75,)|
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)


Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485015
PNG
(CHEMBL2023500)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(14.17,-24.55,;12.84,-23.77,;11.5,-24.55,;10.18,-23.78,;9.4,-22.44,;10.94,-22.44,;8.85,-24.56,;7.52,-23.79,;7.51,-22.24,;6.17,-21.48,;4.84,-22.24,;3.51,-21.48,;4.84,-23.79,;6.18,-24.56,;6.18,-26.1,;3.51,-24.56,;2.18,-23.78,;.85,-24.55,;-.47,-23.77,;-1.8,-24.54,;-1.8,-26.08,;-3.13,-26.85,;-4.47,-26.08,;-4.46,-24.54,;-5.79,-23.77,;-7.13,-24.54,;-7.13,-26.09,;-5.79,-26.85,;-.48,-26.84,;.84,-26.08,;2.18,-26.85,;2.18,-28.39,;3.51,-26.09,;4.85,-26.85,)|
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)


Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484243
PNG
(CHEMBL1822262)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12
Show InChI InChI=1S/C19H14F2N6O4S/c1-31-19-12-7-10(8-23-17(12)25-26-19)24-18(28)15-13(20)4-5-14(16(15)21)27-32(29,30)11-3-2-6-22-9-11/h2-9,27H,1H3,(H,24,28)(H,23,25,26)
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n/an/a 0.5n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485028
PNG
(CHEMBL2023501)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cccnc3)nc2n(C)c1=O |(39.5,-24.7,;38.16,-23.92,;36.83,-24.7,;35.5,-23.93,;34.72,-22.59,;36.26,-22.59,;34.17,-24.71,;32.84,-23.94,;32.83,-22.39,;31.49,-21.63,;30.16,-22.39,;28.83,-21.63,;30.16,-23.94,;31.5,-24.71,;31.5,-26.25,;28.83,-24.71,;27.5,-23.93,;26.17,-24.7,;24.84,-23.92,;23.52,-24.69,;23.52,-26.23,;22.18,-27,;20.85,-26.23,;19.53,-27,;18.19,-26.24,;18.19,-24.7,;19.52,-23.92,;20.86,-24.69,;24.84,-26.99,;26.16,-26.23,;27.5,-27,;27.5,-28.54,;28.83,-26.24,;30.17,-27,)|
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)


Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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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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)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484215
PNG
(CHEMBL1822258)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(F)c4)c3F)cc12
Show InChI InChI=1S/C20H14F3N5O4S/c1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)5-6-15(17(16)23)28-33(30,31)12-4-2-3-10(21)7-12/h2-9,28H,1H3,(H,25,29)(H,24,26,27)
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n/an/a 0.700n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484211
PNG
(CHEMBL1822265)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccco4)c3F)cc12
Show InChI InChI=1S/C18H13F2N5O5S/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24)
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n/an/a 0.700n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485674
PNG
(CHEMBL2153639)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(c1)C(=O)Nc1cnc2[nH]ncc2c1
Show InChI InChI=1S/C20H16N6O2/c27-19(23-17-10-14-11-22-26-18(14)21-12-17)13-5-4-8-16(9-13)25-20(28)24-15-6-2-1-3-7-15/h1-12H,(H,23,27)(H,21,22,26)(H2,24,25,28)
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n/an/a 0.700n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 22: 6237-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.007
BindingDB Entry DOI: 10.7270/Q2PR7ZVV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493611
PNG
(CHEMBL2436807)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2cccc(Br)c2)c1F
Show InChI InChI=1S/C22H18BrF2N5O3S/c1-2-8-34(32,33)30-16-7-6-15(24)18(19(16)25)22(31)27-14-10-17-21(26-11-14)29-20(28-17)12-4-3-5-13(23)9-12/h3-7,9-11,30H,2,8H2,1H3,(H,27,31)(H,26,28,29)
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n/an/a 0.760n/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 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485677
PNG
(CHEMBL2153514)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3cccc(NC(=O)c4cccc(c4)C(C)(C)C#N)c3)cc12
Show InChI InChI=1S/C25H22N6O3/c1-25(2,14-26)17-8-4-6-15(10-17)22(32)28-18-9-5-7-16(11-18)23(33)29-19-12-20-21(27-13-19)30-31-24(20)34-3/h4-13H,1-3H3,(H,28,32)(H,29,33)(H,27,30,31)
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n/an/a 0.900n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 22: 6237-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.007
BindingDB Entry DOI: 10.7270/Q2PR7ZVV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493601
PNG
(CHEMBL2436919)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(cc3c2)-c2ccccc2)c1F
Show InChI InChI=1S/C23H20F2N4O3S/c1-2-10-33(31,32)29-18-9-8-17(24)20(21(18)25)23(30)27-16-11-15-12-19(28-22(15)26-13-16)14-6-4-3-5-7-14/h3-9,11-13,29H,2,10H2,1H3,(H,26,28)(H,27,30)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485685
PNG
(CHEMBL2153513)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3F)cc12
Show InChI InChI=1S/C25H21FN6O3/c1-25(2,13-27)15-6-4-5-14(9-15)22(33)29-16-7-8-20(26)18(10-16)23(34)30-17-11-19-21(28-12-17)31-32-24(19)35-3/h4-12H,1-3H3,(H,29,33)(H,30,34)(H,28,31,32)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 22: 6237-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.007
BindingDB Entry DOI: 10.7270/Q2PR7ZVV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485033
PNG
(CHEMBL2023502)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-c1cc2cnc(Nc3cnn(C)c3)nc2n(C)c1=O |(13.75,-37.45,;12.42,-36.67,;11.08,-37.45,;9.76,-36.68,;8.98,-35.34,;10.52,-35.34,;8.42,-37.46,;7.09,-36.69,;7.08,-35.14,;5.74,-34.38,;4.42,-35.14,;3.08,-34.38,;4.42,-36.69,;5.75,-37.46,;5.75,-39,;3.08,-37.46,;1.76,-36.68,;.43,-37.45,;-.9,-36.67,;-2.23,-37.44,;-2.23,-38.98,;-3.57,-39.75,;-4.82,-38.87,;-4.86,-37.33,;-6.33,-36.88,;-7.21,-38.15,;-8.75,-38.18,;-6.28,-39.37,;-.91,-39.74,;.42,-38.98,;1.76,-39.75,;1.76,-41.29,;3.09,-38.99,;4.42,-39.75,)|
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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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)


Article DOI: 10.1016/j.bmcl.2012.04.015
BindingDB Entry DOI: 10.7270/Q24J0HZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484266
PNG
(CHEMBL1822259)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc12
Show InChI InChI=1S/C20H13F4N5O4S/c1-33-20-11-7-10(8-25-18(11)27-28-20)26-19(30)16-13(23)4-5-14(17(16)24)29-34(31,32)15-6-9(21)2-3-12(15)22/h2-8,29H,1H3,(H,26,30)(H,25,27,28)
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ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493632
PNG
(CHEMBL2436796)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2cccc(c2)C(F)(F)F)c1F
Show InChI InChI=1S/C23H18F5N5O3S/c1-2-8-37(35,36)33-16-7-6-15(24)18(19(16)25)22(34)30-14-10-17-21(29-11-14)32-20(31-17)12-4-3-5-13(9-12)23(26,27)28/h3-7,9-11,33H,2,8H2,1H3,(H,30,34)(H,29,31,32)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493623
PNG
(CHEMBL2436806)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2cccc(Cl)c2)c1F
Show InChI InChI=1S/C22H18ClF2N5O3S/c1-2-8-34(32,33)30-16-7-6-15(24)18(19(16)25)22(31)27-14-10-17-21(26-11-14)29-20(28-17)12-4-3-5-13(23)9-12/h3-7,9-11,30H,2,8H2,1H3,(H,27,31)(H,26,28,29)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493608
PNG
(CHEMBL2436789)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(OC)cc2)c1F
Show InChI InChI=1S/C23H21F2N5O4S/c1-3-10-35(32,33)30-17-9-8-16(24)19(20(17)25)23(31)27-14-11-18-22(26-12-14)29-21(28-18)13-4-6-15(34-2)7-5-13/h4-9,11-12,30H,3,10H2,1-2H3,(H,27,31)(H,26,28,29)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493630
PNG
(CHEMBL2436921)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(cc3c2)-c2ccc(F)cc2)c1F
Show InChI InChI=1S/C23H19F3N4O3S/c1-2-9-34(32,33)30-18-8-7-17(25)20(21(18)26)23(31)28-16-10-14-11-19(29-22(14)27-12-16)13-3-5-15(24)6-4-13/h3-8,10-12,30H,2,9H2,1H3,(H,27,29)(H,28,31)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493606
PNG
(CHEMBL2436795)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2cccc(OC)c2)c1F
Show InChI InChI=1S/C23H21F2N5O4S/c1-3-9-35(32,33)30-17-8-7-16(24)19(20(17)25)23(31)27-14-11-18-22(26-12-14)29-21(28-18)13-5-4-6-15(10-13)34-2/h4-8,10-12,30H,3,9H2,1-2H3,(H,27,31)(H,26,28,29)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485679
PNG
(CHEMBL2153635)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3Cl)cc12
Show InChI InChI=1S/C25H21ClN6O3/c1-25(2,13-27)15-6-4-5-14(9-15)22(33)29-16-7-8-20(26)18(10-16)23(34)30-17-11-19-21(28-12-17)31-32-24(19)35-3/h4-12H,1-3H3,(H,29,33)(H,30,34)(H,28,31,32)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 22: 6237-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.007
BindingDB Entry DOI: 10.7270/Q2PR7ZVV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493616
PNG
(CHEMBL2436790)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(C)cc2)c1F
Show InChI InChI=1S/C23H21F2N5O3S/c1-3-10-34(32,33)30-17-9-8-16(24)19(20(17)25)23(31)27-15-11-18-22(26-12-15)29-21(28-18)14-6-4-13(2)5-7-14/h4-9,11-12,30H,3,10H2,1-2H3,(H,27,31)(H,26,28,29)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485686
PNG
(CHEMBL2153634)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)c4ccc(Cl)c(c4)C(F)(F)F)ccc3F)cc12
Show InChI InChI=1S/C22H14ClF4N5O3/c1-35-21-14-8-12(9-28-18(14)31-32-21)30-20(34)13-7-11(3-5-17(13)24)29-19(33)10-2-4-16(23)15(6-10)22(25,26)27/h2-9H,1H3,(H,29,33)(H,30,34)(H,28,31,32)
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Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 22: 6237-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.007
BindingDB Entry DOI: 10.7270/Q2PR7ZVV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484202
PNG
(CHEMBL1822089)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc12
Show InChI InChI=1S/C17H16F3N5O4S/c1-29-17-10-7-9(8-21-15(10)23-24-17)22-16(26)13-11(19)3-4-12(14(13)20)25-30(27,28)6-2-5-18/h3-4,7-8,25H,2,5-6H2,1H3,(H,22,26)(H,21,23,24)
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ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484249
PNG
(CHEMBL1822069)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1Cl
Show InChI InChI=1S/C17H17Cl2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493628
PNG
(CHEMBL2436791)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(cc2)C(F)(F)F)c1F
Show InChI InChI=1S/C23H18F5N5O3S/c1-2-9-37(35,36)33-16-8-7-15(24)18(19(16)25)22(34)30-14-10-17-21(29-11-14)32-20(31-17)12-3-5-13(6-4-12)23(26,27)28/h3-8,10-11,33H,2,9H2,1H3,(H,30,34)(H,29,31,32)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493615
PNG
(CHEMBL2436794)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(cc2)S(C)(=O)=O)c1F
Show InChI InChI=1S/C23H21F2N5O5S2/c1-3-10-37(34,35)30-17-9-8-16(24)19(20(17)25)23(31)27-14-11-18-22(26-12-14)29-21(28-18)13-4-6-15(7-5-13)36(2,32)33/h4-9,11-12,30H,3,10H2,1-2H3,(H,27,31)(H,26,28,29)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493609
PNG
(CHEMBL2436803)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(Cl)c(Cl)c2)c1F
Show InChI InChI=1S/C22H17Cl2F2N5O3S/c1-2-7-35(33,34)31-16-6-5-15(25)18(19(16)26)22(32)28-12-9-17-21(27-10-12)30-20(29-17)11-3-4-13(23)14(24)8-11/h3-6,8-10,31H,2,7H2,1H3,(H,28,32)(H,27,29,30)
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Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484216
PNG
(CHEMBL1822256)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4)c3F)cc12
Show InChI InChI=1S/C20H15F2N5O4S/c1-31-20-13-9-11(10-23-18(13)25-26-20)24-19(28)16-14(21)7-8-15(17(16)22)27-32(29,30)12-5-3-2-4-6-12/h2-10,27H,1H3,(H,24,28)(H,23,25,26)
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n/an/a 1.60n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493602
PNG
(CHEMBL2436813)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccccc2)c1F
Show InChI InChI=1S/C22H19F2N5O3S/c1-2-10-33(31,32)29-16-9-8-15(23)18(19(16)24)22(30)26-14-11-17-21(25-12-14)28-20(27-17)13-6-4-3-5-7-13/h3-9,11-12,29H,2,10H2,1H3,(H,26,30)(H,25,27,28)
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n/an/a 1.60n/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 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484231
PNG
(CHEMBL1822068)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 1.70n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484231
PNG
(CHEMBL1822068)
Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 1.70n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...


ACS Med Chem Lett 2: 342-7 (2011)


Article DOI: 10.1021/ml200025q
BindingDB Entry DOI: 10.7270/Q2H134VM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484242
PNG
(CHEMBL1822257)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)cc12
Show InChI InChI=1S/C20H14F3N5O4S/c1-32-20-11-8-10(9-24-18(11)26-27-20)25-19(29)16-13(22)6-7-14(17(16)23)28-33(30,31)15-5-3-2-4-12(15)21/h2-9,28H,1H3,(H,25,29)(H,24,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484222
PNG
(CHEMBL1822242)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(I)c3c2)c1F
Show InChI InChI=1S/C16H14F2IN5O3S/c1-2-5-28(26,27)24-11-4-3-10(17)12(13(11)18)16(25)21-8-6-9-14(19)22-23-15(9)20-7-8/h3-4,6-7,24H,2,5H2,1H3,(H,21,25)(H,20,22,23)
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n/an/a 1.80n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485683
PNG
(CHEMBL2153636)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)cc12
Show InChI InChI=1S/C26H24N6O3/c1-15-8-9-18(29-23(33)16-6-5-7-17(10-16)26(2,3)14-27)11-20(15)24(34)30-19-12-21-22(28-13-19)31-32-25(21)35-4/h5-13H,1-4H3,(H,29,33)(H,30,34)(H,28,31,32)
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n/an/a 1.90n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 22: 6237-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.007
BindingDB Entry DOI: 10.7270/Q2PR7ZVV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(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)


Article DOI: 10.1016/j.bmcl.2014.03.007
BindingDB Entry DOI: 10.7270/Q2Q24368
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493626
PNG
(CHEMBL2436804)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(Br)cc2)c1F
Show InChI InChI=1S/C22H18BrF2N5O3S/c1-2-9-34(32,33)30-16-8-7-15(24)18(19(16)25)22(31)27-14-10-17-21(26-11-14)29-20(28-17)12-3-5-13(23)6-4-12/h3-8,10-11,30H,2,9H2,1H3,(H,27,31)(H,26,28,29)
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n/an/a 2.20n/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 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493627
PNG
(CHEMBL2436808)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C22H18ClF2N5O3S/c1-2-9-34(32,33)30-16-8-7-15(24)18(19(16)25)22(31)27-14-10-17-21(26-11-14)29-20(28-17)12-3-5-13(23)6-4-12/h3-8,10-11,30H,2,9H2,1H3,(H,27,31)(H,26,28,29)
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n/an/a 2.20n/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 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484220
PNG
(CHEMBL1822247)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(I)c3c2)c1F
Show InChI InChI=1S/C17H15F2IN4O3S/c1-2-5-28(26,27)24-13-4-3-11(18)14(15(13)19)17(25)23-9-6-10-12(20)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)
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n/an/a 2.20n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484233
PNG
(CHEMBL1822074)
Show SMILES CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
Show InChI InChI=1S/C17H16F3N5O4S/c1-3-4-30(27,28)25-11-6-10(18)13(19)12(14(11)20)16(26)22-8-5-9-15(21-7-8)23-24-17(9)29-2/h5-7,25H,3-4H2,1-2H3,(H,22,26)(H,21,23,24)
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n/an/a 2.30n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50485675
PNG
(CHEMBL2153510)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NC(=O)c4cccc(c4)C(C)(C)C#N)c3F)cc12
Show InChI InChI=1S/C25H20F2N6O3/c1-25(2,12-28)14-6-4-5-13(9-14)22(34)31-18-8-7-17(26)19(20(18)27)23(35)30-15-10-16-21(29-11-15)32-33-24(16)36-3/h4-11H,1-3H3,(H,30,35)(H,31,34)(H,29,32,33)
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n/an/a 2.30n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 22: 6237-41 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.007
BindingDB Entry DOI: 10.7270/Q2PR7ZVV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50484218
PNG
(CHEMBL1822251)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC)c3c2)c1F
Show InChI InChI=1S/C18H19F2N5O4S/c1-3-7-30(27,28)25-13-6-5-12(19)14(15(13)20)17(26)22-10-8-11-16(21-9-10)23-24-18(11)29-4-2/h5-6,8-9,25H,3-4,7H2,1-2H3,(H,22,26)(H,21,23,24)
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n/an/a 2.40n/an/an/an/an/an/a



ArrayBioPharma

Curated by ChEMBL


Assay Description
Inhibition of full length B-Raf V600E mutant


Bioorg Med Chem Lett 21: 5533-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.097
BindingDB Entry DOI: 10.7270/Q28K7CX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493612
PNG
(CHEMBL2436809)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(cc3c2)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H19ClF2N4O3S/c1-2-9-34(32,33)30-18-8-7-17(25)20(21(18)26)23(31)28-16-10-14-11-19(29-22(14)27-12-16)13-3-5-15(24)6-4-13/h3-8,10-12,30H,2,9H2,1H3,(H,27,29)(H,28,31)
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n/an/a 2.40n/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 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50493620
PNG
(CHEMBL2436792)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(OC(F)(F)F)cc2)c1F
Show InChI InChI=1S/C23H18F5N5O4S/c1-2-9-38(35,36)33-16-8-7-15(24)18(19(16)25)22(34)30-13-10-17-21(29-11-13)32-20(31-17)12-3-5-14(6-4-12)37-23(26,27)28/h3-8,10-11,33H,2,9H2,1H3,(H,30,34)(H,29,31,32)
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n/an/a 2.5n/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 23: 5896-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.086
BindingDB Entry DOI: 10.7270/Q29889X1
More data for this
Ligand-Target Pair
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