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Patent code US9624213

Compile Data Set for Download or QSAR

Found 207 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM317660
PNG
(US9624213, Compound P-0031)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(cc2)C#N)c1F
Show InChI InChI=1S/C24H20FN5O3S/c1-3-30(2)34(32,33)29-21-6-4-5-18(22(21)25)23(31)20-14-28-24-19(20)11-17(13-27-24)16-9-7-15(12-26)8-10-16/h4-11,13-14,29H,3H2,1-2H3,(H,27,28)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317673
PNG
(US9624213, Compound P-0044)
Show SMILES COc1ncc(c(OC)n1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
Show InChI InChI=1S/C24H23FN6O5S/c1-35-23-17(12-28-24(29-23)36-2)14-10-16-18(13-27-22(16)26-11-14)21(32)15-6-5-7-19(20(15)25)30-37(33,34)31-8-3-4-9-31/h5-7,10-13,30H,3-4,8-9H2,1-2H3,(H,26,27)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317682
PNG
(US9624213, Compound P-0053)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(nc2)C(F)(F)F)c1F
Show InChI InChI=1S/C22H17F4N5O3S/c1-31(2)35(33,34)30-17-5-3-4-14(19(17)23)20(32)16-11-29-21-15(16)8-13(10-28-21)12-6-7-18(27-9-12)22(24,25)26/h3-11,30H,1-2H3,(H,28,29)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317694
PNG
(US9624213, Compound P-0065)
Show SMILES COCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(OC)nc2)c1F
Show InChI InChI=1S/C22H20FN5O5S/c1-32-6-7-34(30,31)28-18-5-3-4-15(19(18)23)20(29)17-12-25-21-16(17)8-13(9-24-21)14-10-26-22(33-2)27-11-14/h3-5,8-12,28H,6-7H2,1-2H3,(H,24,25)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317706
PNG
(US9624213, Compound P-0077)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(NC3CC3)nc2)c1F
Show InChI InChI=1S/C24H24FN7O3S/c1-3-32(2)36(34,35)31-20-6-4-5-17(21(20)25)22(33)19-13-27-23-18(19)9-14(10-26-23)15-11-28-24(29-12-15)30-16-7-8-16/h4-6,9-13,16,31H,3,7-8H2,1-2H3,(H,26,27)(H,28,29,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317719
PNG
(US9624213, Compound P-0090)
Show SMILES Fc1c(NS(=O)(=O)N2CCCC2)cccc1C(=O)c1c[nH]c2ncc(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H20FN5O3S/c26-23-19(4-3-5-22(23)30-35(33,34)31-10-1-2-11-31)24(32)21-15-29-25-20(21)12-18(14-28-25)17-8-6-16(13-27)7-9-17/h3-9,12,14-15,30H,1-2,10-11H2,(H,28,29)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317736
PNG
(US9624213, Compound P-0107)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)N2CCCC2)c1F
Show InChI InChI=1S/C24H24FN7O3S/c1-31(2)36(34,35)30-20-7-5-6-17(21(20)25)22(33)19-14-27-23-18(19)10-15(11-26-23)16-12-28-24(29-13-16)32-8-3-4-9-32/h5-7,10-14,30H,3-4,8-9H2,1-2H3,(H,26,27)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317747
PNG
(US9624213, Compound P-0243)
Show SMILES OC(=O)C1(CC1)c1ccc(cc1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
Show InChI InChI=1S/C28H25FN4O5S/c29-24-20(4-3-5-23(24)32-39(37,38)33-12-1-2-13-33)25(34)22-16-31-26-21(22)14-18(15-30-26)17-6-8-19(9-7-17)28(10-11-28)27(35)36/h3-9,14-16,32H,1-2,10-13H2,(H,30,31)(H,35,36)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317771
PNG
(US9624213, Compound P-0268)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)N2CCNCC2)c1F
Show InChI InChI=1S/C25H26F2N8O3S/c1-3-34(2)39(37,38)33-20-5-4-19(26)21(22(20)27)23(36)18-14-30-24-17(18)10-15(11-29-24)16-12-31-25(32-13-16)35-8-6-28-7-9-35/h4-5,10-14,28,33H,3,6-9H2,1-2H3,(H,29,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317773
PNG
(US9624213, Compound P-0270)
Show SMILES COc1ncc(s1)-c1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
Show InChI InChI=1S/C22H19F2N5O4S2/c1-33-22-27-11-17(34-22)12-8-13-14(10-26-21(13)25-9-12)20(30)18-15(23)4-5-16(19(18)24)28-35(31,32)29-6-2-3-7-29/h4-5,8-11,28H,2-3,6-7H2,1H3,(H,25,26)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317779
PNG
(US9624213, Compound P-0277)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)N2CCC2)c1F
Show InChI InChI=1S/C24H23F2N7O3S/c1-3-32(2)37(35,36)31-19-6-5-18(25)20(21(19)26)22(34)17-13-28-23-16(17)9-14(10-27-23)15-11-29-24(30-12-15)33-7-4-8-33/h5-6,9-13,31H,3-4,7-8H2,1-2H3,(H,27,28)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317786
PNG
(US9624213, Compound P-0288)
Show SMILES Fc1ccc(NS(=O)(=O)N2CCC(F)(F)C2)c(F)c1C(=O)c1c[nH]c2ncc(cc12)-c1cnc(nc1)C1CC1
Show InChI InChI=1S/C25H20F4N6O3S/c26-18-3-4-19(34-39(37,38)35-6-5-25(28,29)12-35)21(27)20(18)22(36)17-11-33-24-16(17)7-14(8-32-24)15-9-30-23(31-10-15)13-1-2-13/h3-4,7-11,13,34H,1-2,5-6,12H2,(H,32,33)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317795
PNG
(US9624213, Compound P-0300)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(cc2)C#N)c1F
Show InChI InChI=1S/C24H19F2N5O3S/c1-3-31(2)35(33,34)30-20-9-8-19(25)21(22(20)26)23(32)18-13-29-24-17(18)10-16(12-28-24)15-6-4-14(11-27)5-7-15/h4-10,12-13,30H,3H2,1-2H3,(H,28,29)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317796
PNG
(US9624213, Compound P-0301)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(cc2)C(F)(F)F)c1F
Show InChI InChI=1S/C24H19F5N4O3S/c1-3-33(2)37(35,36)32-19-9-8-18(25)20(21(19)26)22(34)17-12-31-23-16(17)10-14(11-30-23)13-4-6-15(7-5-13)24(27,28)29/h4-12,32H,3H2,1-2H3,(H,30,31)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317808
PNG
(US9624213, Compound P-0313)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc3nc(ncc3c2)N(C)C)c1F
Show InChI InChI=1S/C27H25F2N7O3S/c1-5-36(4)40(38,39)34-22-9-7-20(28)23(24(22)29)25(37)19-14-31-26-18(19)11-16(12-30-26)15-6-8-21-17(10-15)13-32-27(33-21)35(2)3/h6-14,34H,5H2,1-4H3,(H,30,31)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317809
PNG
(US9624213, Compound P-0314)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(cc2)C2(O)CC2)c1F
Show InChI InChI=1S/C26H24F2N4O4S/c1-3-32(2)37(35,36)31-21-9-8-20(27)22(23(21)28)24(33)19-14-30-25-18(19)12-16(13-29-25)15-4-6-17(7-5-15)26(34)10-11-26/h4-9,12-14,31,34H,3,10-11H2,1-2H3,(H,29,30)
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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317810
PNG
(US9624213, Compound P-0315)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2cncs2)c1F
Show InChI InChI=1S/C20H17F2N5O3S2/c1-3-27(2)32(29,30)26-15-5-4-14(21)17(18(15)22)19(28)13-8-25-20-12(13)6-11(7-24-20)16-9-23-10-31-16/h4-10,26H,3H2,1-2H3,(H,24,25)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317819
PNG
(US9624213, Compound P-0325)
Show SMILES COc1ccnc(n1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
Show InChI InChI=1S/C23H21FN6O4S/c1-34-19-7-8-25-22(28-19)14-11-16-17(13-27-23(16)26-12-14)21(31)15-5-4-6-18(20(15)24)29-35(32,33)30-9-2-3-10-30/h4-8,11-13,29H,2-3,9-10H2,1H3,(H,26,27)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317820
PNG
(US9624213, Compound P-0326)
Show SMILES Cc1ccnc(n1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
Show InChI InChI=1S/C23H21FN6O3S/c1-14-7-8-25-22(28-14)15-11-17-18(13-27-23(17)26-12-15)21(31)16-5-4-6-19(20(16)24)29-34(32,33)30-9-2-3-10-30/h4-8,11-13,29H,2-3,9-10H2,1H3,(H,26,27)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317828
PNG
(US9624213, Compound P-0340)
Show SMILES CN(CC(F)(F)F)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)C2CC2)c1F
Show InChI InChI=1S/C24H19F5N6O3S/c1-35(11-24(27,28)29)39(37,38)34-18-5-4-17(25)19(20(18)26)21(36)16-10-33-23-15(16)6-13(7-32-23)14-8-30-22(31-9-14)12-2-3-12/h4-10,12,34H,2-3,11H2,1H3,(H,32,33)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317838
PNG
(US9624213, Compound P-0232)
Show SMILES Fc1c(NS(=O)(=O)N2CCCC2)cccc1C(=O)c1c[nH]c2ncc(cc12)-c1cnc(NC2CC2)nc1
Show InChI InChI=1S/C25H24FN7O3S/c26-22-18(4-3-5-21(22)32-37(35,36)33-8-1-2-9-33)23(34)20-14-28-24-19(20)10-15(11-27-24)16-12-29-25(30-13-16)31-17-6-7-17/h3-5,10-14,17,32H,1-2,6-9H2,(H,27,28)(H,29,30,31)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317839
PNG
(US9624213, Compound P-0233)
Show SMILES CC(C)N(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)C2CC2)c1F
Show InChI InChI=1S/C25H25FN6O3S/c1-14(2)32(3)36(34,35)31-21-6-4-5-18(22(21)26)23(33)20-13-30-25-19(20)9-16(10-29-25)17-11-27-24(28-12-17)15-7-8-15/h4-6,9-15,31H,7-8H2,1-3H3,(H,29,30)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317842
PNG
(US9624213, Compound P-0115)
Show SMILES CN(CC1CC1)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(nc2)C2CC2)c1F
Show InChI InChI=1S/C27H26FN5O3S/c1-33(15-16-5-6-16)37(35,36)32-24-4-2-3-20(25(24)28)26(34)22-14-31-27-21(22)11-19(13-30-27)18-9-10-23(29-12-18)17-7-8-17/h2-4,9-14,16-17,32H,5-8,15H2,1H3,(H,30,31)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317643
PNG
(US9624213, Compound P-0014)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(OC)nc2)c1F
Show InChI InChI=1S/C22H20F2N6O4S/c1-4-30(2)35(32,33)29-17-6-5-16(23)18(19(17)24)20(31)15-11-26-21-14(15)7-12(8-25-21)13-9-27-22(34-3)28-10-13/h5-11,29H,4H2,1-3H3,(H,25,26)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317648
PNG
(US9624213, Compound P-0019)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H20ClFN4O3S/c1-3-29(2)33(31,32)28-20-6-4-5-17(21(20)25)22(30)19-13-27-23-18(19)11-15(12-26-23)14-7-9-16(24)10-8-14/h4-13,28H,3H2,1-2H3,(H,26,27)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317652
PNG
(US9624213, Compound P-0023)
Show SMILES Cc1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
Show InChI InChI=1S/C19H19FN4O3S/c1-12-9-14-15(11-22-19(14)21-10-12)18(25)13-5-4-6-16(17(13)20)23-28(26,27)24-7-2-3-8-24/h4-6,9-11,23H,2-3,7-8H2,1H3,(H,21,22)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317661
PNG
(US9624213, Compound P-0032)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cccnc2)c1F
Show InChI InChI=1S/C22H20FN5O3S/c1-3-28(2)32(30,31)27-19-8-4-7-16(20(19)23)21(29)18-13-26-22-17(18)10-15(12-25-22)14-6-5-9-24-11-14/h4-13,27H,3H2,1-2H3,(H,25,26)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317662
PNG
(US9624213, Compound P-0033)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(C)nc2)c1F
Show InChI InChI=1S/C23H22FN5O3S/c1-4-29(3)33(31,32)28-20-7-5-6-17(21(20)24)22(30)19-13-27-23-18(19)10-16(12-26-23)15-9-8-14(2)25-11-15/h5-13,28H,4H2,1-3H3,(H,26,27)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317663
PNG
(US9624213, Compound P-0034)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(F)cc2)c1F
Show InChI InChI=1S/C23H20F2N4O3S/c1-3-29(2)33(31,32)28-20-6-4-5-17(21(20)25)22(30)19-13-27-23-18(19)11-15(12-26-23)14-7-9-16(24)10-8-14/h4-13,28H,3H2,1-2H3,(H,26,27)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317667
PNG
(5-bromo-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2-flu...)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1F
Show InChI InChI=1S/C17H16BrFN4O3S/c1-3-23(2)27(25,26)22-14-6-4-5-11(15(14)19)16(24)13-9-21-17-12(13)7-10(18)8-20-17/h4-9,22H,3H2,1-2H3,(H,20,21)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317669
PNG
(US9624213, Compound P-0040)
Show SMILES CCCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(OC)nc2)c1F
Show InChI InChI=1S/C23H23FN6O4S/c1-4-8-30(2)35(32,33)29-19-7-5-6-16(20(19)24)21(31)18-13-26-22-17(18)9-14(10-25-22)15-11-27-23(34-3)28-12-15/h5-7,9-13,29H,4,8H2,1-3H3,(H,25,26)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317696
PNG
(US9624213, Compound P-0067)
Show SMILES COc1ncc(cn1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)C4CC4)c3F)c2c1
Show InChI InChI=1S/C22H18FN5O4S/c1-32-22-26-9-13(10-27-22)12-7-16-17(11-25-21(16)24-8-12)20(29)15-3-2-4-18(19(15)23)28-33(30,31)14-5-6-14/h2-4,7-11,14,28H,5-6H2,1H3,(H,24,25)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317697
PNG
(US9624213, Compound P-0068)
Show SMILES CCNS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(OC)nc2)c1F
Show InChI InChI=1S/C21H19FN6O4S/c1-3-27-33(30,31)28-17-6-4-5-14(18(17)22)19(29)16-11-24-20-15(16)7-12(8-23-20)13-9-25-21(32-2)26-10-13/h4-11,27-28H,3H2,1-2H3,(H,23,24)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317712
PNG
(US9624213, Compound P-0083)
Show SMILES COc1ncc(cn1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N(C)CC4CC4)c3F)c2c1
Show InChI InChI=1S/C24H23FN6O4S/c1-31(13-14-6-7-14)36(33,34)30-20-5-3-4-17(21(20)25)22(32)19-12-27-23-18(19)8-15(9-26-23)16-10-28-24(35-2)29-11-16/h3-5,8-12,14,30H,6-7,13H2,1-2H3,(H,26,27)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317716
PNG
(US9624213, Compound P-0087)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(nc2)C2CC2)c1F
Show InChI InChI=1S/C25H24FN5O3S/c1-3-31(2)35(33,34)30-22-6-4-5-18(23(22)26)24(32)20-14-29-25-19(20)11-17(13-28-25)16-9-10-21(27-12-16)15-7-8-15/h4-6,9-15,30H,3,7-8H2,1-2H3,(H,28,29)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317717
PNG
(US9624213, Compound P-0088)
Show SMILES COc1ncc(cn1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N4CC(F)(F)C4)c3F)c2c1
Show InChI InChI=1S/C22H17F3N6O4S/c1-35-21-28-7-13(8-29-21)12-5-15-16(9-27-20(15)26-6-12)19(32)14-3-2-4-17(18(14)23)30-36(33,34)31-10-22(24,25)11-31/h2-9,30H,10-11H2,1H3,(H,26,27)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317718
PNG
(US9624213, Compound P-0089)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncnc(N[C@@H](C)C4CC4)c23)c1F
Show InChI InChI=1S/C21H25FN6O3S/c1-4-28(3)32(30,31)27-16-7-5-6-14(18(16)22)19(29)15-10-23-20-17(15)21(25-11-24-20)26-12(2)13-8-9-13/h5-7,10-13,27H,4,8-9H2,1-3H3,(H2,23,24,25,26)/t12-/m0/s1
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317725
PNG
(US9624213, Compound P-0096)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)C#N)c1F
Show InChI InChI=1S/C21H16FN7O3S/c1-29(2)33(31,32)28-17-5-3-4-14(19(17)22)20(30)16-11-27-21-15(16)6-12(8-26-21)13-9-24-18(7-23)25-10-13/h3-6,8-11,28H,1-2H3,(H,26,27)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317734
PNG
(US9624213, Compound P-0105)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
Show InChI InChI=1S/C27H27FN4O4S/c1-27(2,34)19-10-8-17(9-11-19)18-14-21-22(16-30-26(21)29-15-18)25(33)20-6-5-7-23(24(20)28)31-37(35,36)32-12-3-4-13-32/h5-11,14-16,31,34H,3-4,12-13H2,1-2H3,(H,29,30)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317737
PNG
(US9624213, Compound P-0108)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)N2CCCC2)c1F
Show InChI InChI=1S/C25H26FN7O3S/c1-3-32(2)37(35,36)31-21-8-6-7-18(22(21)26)23(34)20-15-28-24-19(20)11-16(12-27-24)17-13-29-25(30-14-17)33-9-4-5-10-33/h6-8,11-15,31H,3-5,9-10H2,1-2H3,(H,27,28)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317741
PNG
(US9624213, Compound P-0237)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(cc2)C2(CC2)[N+]#[C-])c1F
Show InChI InChI=1S/C26H21F2N5O3S/c1-29-26(10-11-26)17-6-4-15(5-7-17)16-12-18-19(14-31-25(18)30-13-16)24(34)22-20(27)8-9-21(23(22)28)32-37(35,36)33(2)3/h4-9,12-14,32H,10-11H2,2-3H3,(H,30,31)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317762
PNG
(US9624213, Compound P-0259)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2cccc(c2)N2CCOCC2)c1F
Show InChI InChI=1S/C27H27F2N5O4S/c1-3-33(2)39(36,37)32-23-8-7-22(28)24(25(23)29)26(35)21-16-31-27-20(21)14-18(15-30-27)17-5-4-6-19(13-17)34-9-11-38-12-10-34/h4-8,13-16,32H,3,9-12H2,1-2H3,(H,30,31)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317775
PNG
(US9624213, Compound P-0272)
Show SMILES CNC1CCN(C1)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)C2CC2)c1F
Show InChI InChI=1S/C26H26FN7O3S/c1-28-18-7-8-34(14-18)38(36,37)33-22-4-2-3-19(23(22)27)24(35)21-13-32-26-20(21)9-16(10-31-26)17-11-29-25(30-12-17)15-5-6-15/h2-4,9-13,15,18,28,33H,5-8,14H2,1H3,(H,31,32)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317788
PNG
(US9624213, Compound P-0291)
Show SMILES COC(=O)C(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)C2CC2)c1F
Show InChI InChI=1S/C25H22FN5O5S/c1-13(25(33)36-2)37(34,35)31-20-5-3-4-17(21(20)26)22(32)19-12-30-24-18(19)8-15(9-29-24)16-10-27-23(28-11-16)14-6-7-14/h3-5,8-14,31H,6-7H2,1-2H3,(H,29,30)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317792
PNG
(US9624213, Compound P-0297)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)C2CCC2)c1F
Show InChI InChI=1S/C21H23FN4O3S/c1-3-26(2)30(28,29)25-18-9-5-8-15(19(18)22)20(27)17-12-24-21-16(17)10-14(11-23-21)13-6-4-7-13/h5,8-13,25H,3-4,6-7H2,1-2H3,(H,23,24)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317794
PNG
(US9624213, Compound P-0299)
Show SMILES Nc1cc(ncn1)-c1cnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)N4CCCC4)c3F)c2c1
Show InChI InChI=1S/C22H20FN7O3S/c23-20-14(4-3-5-17(20)29-34(32,33)30-6-1-2-7-30)21(31)16-11-26-22-15(16)8-13(10-25-22)18-9-19(24)28-12-27-18/h3-5,8-12,29H,1-2,6-7H2,(H,25,26)(H2,24,27,28)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317807
PNG
(US9624213, Compound P-0312)
Show SMILES CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(nc2)C(=O)NC2CC2)c1F
Show InChI InChI=1S/C26H24F2N6O4S/c1-3-34(2)39(37,38)33-20-9-7-19(27)22(23(20)28)24(35)18-13-31-25-17(18)10-15(12-30-25)14-4-8-21(29-11-14)26(36)32-16-5-6-16/h4,7-13,16,33H,3,5-6H2,1-2H3,(H,30,31)(H,32,36)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317821
PNG
(US9624213, Compound P-0327)
Show SMILES F[C@@H]1CCN(C1)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)C2CC2)c1F
Show InChI InChI=1S/C25H22F2N6O3S/c26-17-6-7-33(13-17)37(35,36)32-21-3-1-2-18(22(21)27)23(34)20-12-31-25-19(20)8-15(9-30-25)16-10-28-24(29-11-16)14-4-5-14/h1-3,8-12,14,17,32H,4-7,13H2,(H,30,31)/t17-/m1/s1
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317827
PNG
(US9624213, Compound P-0339)
Show SMILES FC1CCN(C1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(nc2)C2CC2)c1F
Show InChI InChI=1S/C25H21F3N6O3S/c26-16-5-6-34(12-16)38(36,37)33-20-4-3-19(27)21(22(20)28)23(35)18-11-32-25-17(18)7-14(8-31-25)15-9-29-24(30-10-15)13-1-2-13/h3-4,7-11,13,16,33H,1-2,5-6,12H2,(H,31,32)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM317837
PNG
(US9624213, Compound P-0231)
Show SMILES CCC(C)S(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncc(cc23)-c2cnc(C)nc2)c1F
Show InChI InChI=1S/C23H22FN5O3S/c1-4-13(2)33(31,32)29-20-7-5-6-17(21(20)24)22(30)19-12-28-23-18(19)8-15(9-27-23)16-10-25-14(3)26-11-16/h5-13,29H,4H2,1-3H3,(H,27,28)
PDB

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Plexxikon Inc.

US Patent


Assay Description
Assays for biochemical and cell based activity are known in the art, for example, as described in PCT publication WO 2007/002433, the disclosure of w...


US Patent US9624213 (2017)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%