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Patent code US9593100

Compile Data Set for Download or QSAR
Found 23 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
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221684
PNG
(US9314464, 5 | US9593100, Compound 5)
Show SMILES CCCS(=O)(=O)Nc1cc(Cl)cc(c1)-c1nn(cc1-c1ccnc(NC[C@H](C)NC(=O)OC)n1)C(C)C
Show InChI InChI=1S/C24H32ClN7O4S/c1-6-9-37(34,35)31-19-11-17(10-18(25)12-19)22-20(14-32(30-22)15(2)3)21-7-8-26-23(29-21)27-13-16(4)28-24(33)36-5/h7-8,10-12,14-16,31H,6,9,13H2,1-5H3,(H,28,33)(H,26,27,29)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221688
PNG
(US9314464, 9 | US9593100, Compound 9)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221690
PNG
(US9314464, 11 | US9593100, Compound 11)
Show SMILES CCn1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NC[C@H](C)NC(=O)OC)n1
Show InChI InChI=1S/C21H25ClFN7O4S/c1-5-30-11-15(16-6-7-24-20(27-16)25-10-12(2)26-21(31)34-3)19(28-30)14-8-13(22)9-17(18(14)23)29-35(4,32)33/h6-9,11-12,29H,5,10H2,1-4H3,(H,26,31)(H,24,25,27)/t12-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221689
PNG
(US9314464, 10 | US9593100, Compound 10)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(F)cc(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221686
PNG
(US9314464, 7 | US9593100, Compound 7)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F
Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-19-8-7-17(25)20(21(19)26)22-16(13-33(31-22)14(2)3)18-9-10-27-23(30-18)28-12-15(4)29-24(34)37-5/h7-10,13-15,32H,6,11-12H2,1-5H3,(H,29,34)(H,27,28,30)/t15-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221699
PNG
(US9314464, 20 | US9593100, Compound 20)
Show SMILES COC(=O)N[C@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221710
PNG
(US9314464, 31 | US9593100, Compound 31)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1c[nH]nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F
Show InChI InChI=1S/C19H21ClFN7O4S/c1-10(25-19(29)32-2)8-23-18-22-5-4-14(26-18)13-9-24-27-17(13)12-6-11(20)7-15(16(12)21)28-33(3,30)31/h4-7,9-10,28H,8H2,1-3H3,(H,24,27)(H,25,29)(H,22,23,26)/t10-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221681
PNG
(US9314464, 2 | US9593100, Compound 2)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1)C(C)C
Show InChI InChI=1S/C22H28ClN7O4S/c1-13(2)30-12-18(19-6-7-24-21(27-19)25-11-14(3)26-22(31)34-4)20(28-30)15-8-16(23)10-17(9-15)29-35(5,32)33/h6-10,12-14,29H,11H2,1-5H3,(H,26,31)(H,24,25,27)/t14-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221691
PNG
(US9314464, 12 | US9593100, Compound 12)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(C)cc(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C23H30FN7O4S/c1-13(2)31-12-17(18-7-8-25-22(28-18)26-11-15(4)27-23(32)35-5)21(29-31)16-9-14(3)10-19(20(16)24)30-36(6,33)34/h7-10,12-13,15,30H,11H2,1-6H3,(H,27,32)(H,25,26,28)/t15-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221692
PNG
(US9314464, 13 | US9593100, Compound 13)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(C)cc(NS(C)(=O)=O)c1Cl)C(C)C
Show InChI InChI=1S/C23H30ClN7O4S/c1-13(2)31-12-17(18-7-8-25-22(28-18)26-11-15(4)27-23(32)35-5)21(29-31)16-9-14(3)10-19(20(16)24)30-36(6,33)34/h7-10,12-13,15,30H,11H2,1-6H3,(H,27,32)(H,25,26,28)/t15-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221694
PNG
(US9314464, 15 | US9593100, Compound 15)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(F)cc(NS(C)(=O)=O)c1Cl)C(C)C
Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(24)9-18(19(15)23)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221705
PNG
(US9314464, 26 | US9593100, Compound 26)
Show SMILES CCS(=O)(=O)Nc1c(F)ccc(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F
Show InChI InChI=1S/C23H29F2N7O4S/c1-6-37(34,35)31-21-17(24)8-7-15(19(21)25)20-16(12-32(30-20)13(2)3)18-9-10-26-22(29-18)27-11-14(4)28-23(33)36-5/h7-10,12-14,31H,6,11H2,1-5H3,(H,28,33)(H,26,27,29)/t14-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221683
PNG
(US9314464, 4 | US9593100, Compound 4)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cccc(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C22H28FN7O4S/c1-13(2)30-12-16(17-9-10-24-21(27-17)25-11-14(3)26-22(31)34-4)20(28-30)15-7-6-8-18(19(15)23)29-35(5,32)33/h6-10,12-14,29H,11H2,1-5H3,(H,26,31)(H,24,25,27)/t14-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221713
PNG
(US9314464, 34 | US9593100, Compound 34)
Show SMILES CCCS(=O)(=O)Nc1c(F)ccc(-c2nn(cc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)C(C)C)c1F
Show InChI InChI=1S/C24H31F2N7O4S/c1-6-11-38(35,36)32-22-18(25)8-7-16(20(22)26)21-17(13-33(31-21)14(2)3)19-9-10-27-23(30-19)28-12-15(4)29-24(34)37-5/h7-10,13-15,32H,6,11-12H2,1-5H3,(H,29,34)(H,27,28,30)/t15-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221711
PNG
(US9314464, 32 | US9593100, Compound 32)
Show SMILES COC(=O)NC[C@H](C)Nc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)27-13(3)10-26-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,26,32)(H,25,27,28)/t13-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221685
PNG
(US9314464, 6 | US9593100, Compound 6)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1c(F)ccc(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-14(16-8-9-25-21(28-16)26-10-13(3)27-22(32)35-4)20(29-31)18-15(23)6-7-17(19(18)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221709
PNG
(US9314464, 30 | US9593100, Compound 30)
Show SMILES CC(C)n1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(N)n1
Show InChI InChI=1S/C17H18ClFN6O2S/c1-9(2)25-8-12(13-4-5-21-17(20)22-13)16(23-25)11-6-10(18)7-14(15(11)19)24-28(3,26)27/h4-9,24H,1-3H3,(H2,20,21,22)
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n/an/a 4.30n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221698
PNG
(US9314464, 19 | US9593100, Compound 19)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1ccc(F)c(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C22H27F2N7O4S/c1-12(2)31-11-15(17-8-9-25-21(28-17)26-10-13(3)27-22(32)35-4)19(29-31)14-6-7-16(23)20(18(14)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221708
PNG
(US9314464, 29 | US9593100, Compound 29)
Show SMILES CNc1nccc(n1)-c1cn(nc1-c1cc(Cl)cc(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C18H20ClFN6O2S/c1-10(2)26-9-13(14-5-6-22-18(21-3)23-14)17(24-26)12-7-11(19)8-15(16(12)20)25-29(4,27)28/h5-10,25H,1-4H3,(H,21,22,23)
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n/an/a 8n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM300143
PNG
(US9593100, Compound 24)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(F)cc(NS(=O)(=O)C2CC2)c1F)C(C)C
Show InChI InChI=1S/C24H29F2N7O4S/c1-13(2)33-12-18(19-7-8-27-23(30-19)28-11-14(3)29-24(34)37-4)22(31-33)17-9-15(25)10-20(21(17)26)32-38(35,36)16-5-6-16/h7-10,12-14,16,32H,5-6,11H2,1-4H3,(H,29,34)(H,27,28,30)/t14-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221695
PNG
(US9314464, 16 | US9593100, Compound 16)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1ccnc(NS(C)(=O)=O)c1F)C(C)C
Show InChI InChI=1S/C21H27FN8O4S/c1-12(2)30-11-15(16-7-9-24-20(27-16)25-10-13(3)26-21(31)34-4)18(28-30)14-6-8-23-19(17(14)22)29-35(5,32)33/h6-9,11-13H,10H2,1-5H3,(H,23,29)(H,26,31)(H,24,25,27)/t13-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221707
PNG
(US9314464, 28 | US9593100, Compound 28)
Show SMILES CC(C)n1cc(c(n1)-c1cc(Cl)cc(NS(C)(=O)=O)c1F)-c1ccnc(NCCN(C)C)n1
Show InChI InChI=1S/C21H27ClFN7O2S/c1-13(2)30-12-16(17-6-7-24-21(26-17)25-8-9-29(3)4)20(27-30)15-10-14(22)11-18(19(15)23)28-33(5,31)32/h6-7,10-13,28H,8-9H2,1-5H3,(H,24,25,26)
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n/an/a 90n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase (V600E)


(Homo sapiens (human))
BDBM221706
PNG
(US9314464, 27 | US9593100, Compound 27)
Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1cn(nc1-c1cc(NS(C)(=O)=O)c(C)c(OC)c1)C(C)C
Show InChI InChI=1S/C24H33N7O5S/c1-14(2)31-13-18(19-8-9-25-23(28-19)26-12-15(3)27-24(32)36-6)22(29-31)17-10-20(30-37(7,33)34)16(4)21(11-17)35-5/h8-11,13-15,30H,12H2,1-7H3,(H,27,32)(H,25,26,28)/t15-/m0/s1
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Array BioPharma, Inc.

US Patent


Assay Description
B-Raf (V600E; 4 pM) and biotinylated Mek (kinase dead; 10 nM) were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgC...


US Patent US9593100 (2017)

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