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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'C-RAF (Y340D Y341D)' AND taxid = 9606   
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
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322528
PNG
(5-[3-[4-(3-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccsc3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-4-2-18-21(5-7-25-24(18)28-22)31-17-1-3-20-15(10-17)9-16(12-30-20)23-26-11-19(27-23)14-6-8-32-13-14/h1,3,5-8,10-11,13,16H,2,4,9,12H2,(H,26,27)(H,25,28,29)
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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322529
PNG
(5-[3-[4-(2-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3cccs3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-6-4-17-20(7-8-25-24(17)28-22)31-16-3-5-19-14(11-16)10-15(13-30-19)23-26-12-18(27-23)21-2-1-9-32-21/h1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,26,27)(H,25,28,29)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322521
PNG
(5-[3-(4-phenyl-1H-imidazol-2-yl)chroman-6-yl]oxy-3...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C26H22N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322521
PNG
(5-[3-(4-phenyl-1H-imidazol-2-yl)chroman-6-yl]oxy-3...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C26H22N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322521
PNG
(5-[3-(4-phenyl-1H-imidazol-2-yl)chroman-6-yl]oxy-3...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C26H22N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM238347
PNG
(US9388165, 3)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc2c(N)nccc12)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H19F3N4O2/c1-14-8-9-15(23(33)31-17-5-2-4-16(13-17)25(26,27)28)12-21(14)32-24(34)20-7-3-6-19-18(20)10-11-30-22(19)29/h2-13H,1H3,(H2,29,30)(H,31,33)(H,32,34)
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Assay Description
The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...


US Patent US9388165 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BF9
More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322530
PNG
(5-[3-[5-(2-chlorophenyl)-1H-imidazol-2-yl]chroman-...)
Show SMILES Clc1ccccc1-c1cnc([nH]1)C1COc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C26H21ClN4O3/c27-20-4-2-1-3-18(20)21-13-29-25(30-21)16-11-15-12-17(5-7-22(15)33-14-16)34-23-9-10-28-26-19(23)6-8-24(32)31-26/h1-5,7,9-10,12-13,16H,6,8,11,14H2,(H,29,30)(H,28,31,32)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322542
PNG
(5-[[(3R)-3-(4-phenyl-1H-imidazol-2-yl)-2,3-dihydro...)
Show SMILES O=C1CCc2c(Oc3ccc4OC[C@H](Oc4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C25H20N4O4/c30-23-9-7-17-19(10-11-26-24(17)29-23)32-16-6-8-20-21(12-16)33-22(14-31-20)25-27-13-18(28-25)15-4-2-1-3-5-15/h1-6,8,10-13,22H,7,9,14H2,(H,27,28)(H,26,29,30)/t22-/m0/s1
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322541
PNG
(5-[[(3S)-3-(4-phenyl-1H-imidazol-2-yl)-2,3-dihydro...)
Show SMILES O=C1CCc2c(Oc3ccc4OC[C@@H](Oc4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C25H20N4O4/c30-23-9-7-17-19(10-11-26-24(17)29-23)32-16-6-8-20-21(12-16)33-22(14-31-20)25-27-13-18(28-25)15-4-2-1-3-5-15/h1-6,8,10-13,22H,7,9,14H2,(H,27,28)(H,26,29,30)/t22-/m1/s1
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322540
PNG
(5-[3-(5-phenyl-1H-pyrazol-3-yl)chroman-6-yl]oxy-3,...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3cc([nH]n3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C26H22N4O3/c31-25-9-7-20-24(10-11-27-26(20)28-25)33-19-6-8-23-17(13-19)12-18(15-32-23)22-14-21(29-30-22)16-4-2-1-3-5-16/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,29,30)(H,27,28,31)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322538
PNG
(5-[[3-(4-phenyl-1H-imidazol-2-yl)-2H-chromen-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(=Cc4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C26H20N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-14H,7,9,15H2,(H,28,29)(H,27,30,31)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322537
PNG
(5-[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imid...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3ncc([nH]3)-c3ccc4OCCOc4c3)ccnc2N1
Show InChI InChI=1S/C28H24N4O5/c33-26-6-3-20-23(7-8-29-28(20)32-26)37-19-2-5-22-17(12-19)11-18(15-36-22)27-30-14-21(31-27)16-1-4-24-25(13-16)35-10-9-34-24/h1-2,4-5,7-8,12-14,18H,3,6,9-11,15H2,(H,30,31)(H,29,32,33)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322536
PNG
(5-[3-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]ch...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3ncc([nH]3)-c3ccc4OCOc4c3)ccnc2N1
Show InChI InChI=1S/C27H22N4O5/c32-25-6-3-19-22(7-8-28-27(19)31-25)36-18-2-5-21-16(10-18)9-17(13-33-21)26-29-12-20(30-26)15-1-4-23-24(11-15)35-14-34-23/h1-2,4-5,7-8,10-12,17H,3,6,9,13-14H2,(H,29,30)(H,28,31,32)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322535
PNG
(5-[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]chroman-...)
Show SMILES Fc1ccc(cc1)-c1cnc([nH]1)C1COc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C26H21FN4O3/c27-18-3-1-15(2-4-18)21-13-29-25(30-21)17-11-16-12-19(5-7-22(16)33-14-17)34-23-9-10-28-26-20(23)6-8-24(32)31-26/h1-5,7,9-10,12-13,17H,6,8,11,14H2,(H,29,30)(H,28,31,32)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322533
PNG
(5-[3-[5-(3-pyridyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3ncc([nH]3)-c3cccnc3)ccnc2N1
Show InChI InChI=1S/C25H21N5O3/c31-23-6-4-19-22(7-9-27-25(19)30-23)33-18-3-5-21-16(11-18)10-17(14-32-21)24-28-13-20(29-24)15-2-1-8-26-12-15/h1-3,5,7-9,11-13,17H,4,6,10,14H2,(H,28,29)(H,27,30,31)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322532
PNG
(5-[3-[4-(benzofuran-3-yl)-1H-imidazol-2-yl]chroman...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3coc4ccccc34)ccnc2N1
Show InChI InChI=1S/C28H22N4O4/c33-26-8-6-20-25(9-10-29-28(20)32-26)36-18-5-7-23-16(12-18)11-17(14-34-23)27-30-13-22(31-27)21-15-35-24-4-2-1-3-19(21)24/h1-5,7,9-10,12-13,15,17H,6,8,11,14H2,(H,30,31)(H,29,32,33)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322531
PNG
(5-[3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]chroman-...)
Show SMILES Clc1cccc(c1)-c1cnc([nH]1)C1COc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C26H21ClN4O3/c27-18-3-1-2-15(11-18)21-13-29-25(30-21)17-10-16-12-19(4-6-22(16)33-14-17)34-23-8-9-28-26-20(23)5-7-24(32)31-26/h1-4,6,8-9,11-13,17H,5,7,10,14H2,(H,29,30)(H,28,31,32)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322529
PNG
(5-[3-[4-(2-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3cccs3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-6-4-17-20(7-8-25-24(17)28-22)31-16-3-5-19-14(11-16)10-15(13-30-19)23-26-12-18(27-23)21-2-1-9-32-21/h1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,26,27)(H,25,28,29)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322518
PNG
(5-[3-(1H-benzimidazol-2-yl)chroman-6-yl]oxy-3,4-di...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc4ccccc4[nH]3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3/c29-22-8-6-17-21(9-10-25-24(17)28-22)31-16-5-7-20-14(12-16)11-15(13-30-20)23-26-18-3-1-2-4-19(18)27-23/h1-5,7,9-10,12,15H,6,8,11,13H2,(H,26,27)(H,25,28,29)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322521
PNG
(5-[3-(4-phenyl-1H-imidazol-2-yl)chroman-6-yl]oxy-3...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C26H22N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322521
PNG
(5-[3-(4-phenyl-1H-imidazol-2-yl)chroman-6-yl]oxy-3...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C26H22N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322521
PNG
(5-[3-(4-phenyl-1H-imidazol-2-yl)chroman-6-yl]oxy-3...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C26H22N4O3/c31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16/h1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31)
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More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322525
PNG
(5-[3[4-(4-pyridyl)-1H-imidazol-2-yl]chroman-6-yl]o...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccncc3)ccnc2N1
Show InChI InChI=1S/C25H21N5O3/c31-23-4-2-19-22(7-10-27-25(19)30-23)33-18-1-3-21-16(12-18)11-17(14-32-21)24-28-13-20(29-24)15-5-8-26-9-6-15/h1,3,5-10,12-13,17H,2,4,11,14H2,(H,28,29)(H,27,30,31)
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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322527
PNG
(5-[3-(4-tert-butyl-1H-imidazol-2-yl)chroman-6-yl]o...)
Show SMILES CC(C)(C)c1c[nH]c(n1)C1COc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C24H26N4O3/c1-24(2,3)20-12-26-22(27-20)15-10-14-11-16(4-6-18(14)30-13-15)31-19-8-9-25-23-17(19)5-7-21(29)28-23/h4,6,8-9,11-12,15H,5,7,10,13H2,1-3H3,(H,26,27)(H,25,28,29)
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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322528
PNG
(5-[3-[4-(3-thienyl)-1H-imidazol-2-yl]chroman-6-yl]...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(c[nH]3)-c3ccsc3)ccnc2N1
Show InChI InChI=1S/C24H20N4O3S/c29-22-4-2-18-21(5-7-25-24(18)28-22)31-17-1-3-20-15(10-17)9-16(12-30-20)23-26-11-19(27-23)14-6-8-32-13-14/h1,3,5-8,10-11,13,16H,2,4,9,12H2,(H,26,27)(H,25,28,29)
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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM238345
PNG
(US9388165, 1)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1NC(=O)c1cccc2c(N)nccc12
Show InChI InChI=1S/C25H19F3N4O2/c1-14-8-9-17(31-23(33)15-4-2-5-16(12-15)25(26,27)28)13-21(14)32-24(34)20-7-3-6-19-18(20)10-11-30-22(19)29/h2-13H,1H3,(H2,29,30)(H,31,33)(H,32,34)
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Assay Description
The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...


US Patent US9388165 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BF9
More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM238349
PNG
(US9388165, 6)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc5c(NC(C)(C)C)nccc45)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C36H41F3N6O2/c1-6-44-16-18-45(19-17-44)22-25-12-13-26(21-30(25)36(37,38)39)41-33(46)24-11-10-23(2)31(20-24)42-34(47)29-9-7-8-28-27(29)14-15-40-32(28)43-35(3,4)5/h7-15,20-21H,6,16-19,22H2,1-5H3,(H,40,43)(H,41,46)(H,42,47)
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Assay Description
The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...


US Patent US9388165 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BF9
More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM238348
PNG
(US9388165, 4)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc2c(N)nccc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H18ClF3N4O2/c1-13-5-6-14(23(34)32-15-7-8-20(26)19(12-15)25(27,28)29)11-21(13)33-24(35)18-4-2-3-17-16(18)9-10-31-22(17)30/h2-12H,1H3,(H2,30,31)(H,32,34)(H,33,35)
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n/an/a 10.7n/an/an/an/an/an/a



HANMI PHARM. CO., LTD.

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Assay Description
The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...


US Patent US9388165 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BF9
More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM238346
PNG
(US9388165, 2)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc2c(NC(C)(C)C)nccc12)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N4O2/c1-17-11-12-18(26(37)34-20-8-5-7-19(16-20)29(30,31)32)15-24(17)35-27(38)23-10-6-9-22-21(23)13-14-33-25(22)36-28(2,3)4/h5-16H,1-4H3,(H,33,36)(H,34,37)(H,35,38)
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Assay Description
The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...


US Patent US9388165 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BF9
More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM238350
PNG
(US9388165, 8)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc2c(NC(C)(C)C)nccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C28H28N4O2/c1-18-13-14-19(26(33)30-20-9-6-5-7-10-20)17-24(18)31-27(34)23-12-8-11-22-21(23)15-16-29-25(22)32-28(2,3)4/h5-17H,1-4H3,(H,29,32)(H,30,33)(H,31,34)
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Assay Description
The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...


US Patent US9388165 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BF9
More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322519
PNG
(5-[3-(7-chloro-1H-benzimidazol-2-yl]chroman-6-yl]o...)
Show SMILES Clc1cccc2nc([nH]c12)C1COc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C24H19ClN4O3/c25-17-2-1-3-18-22(17)29-23(27-18)14-10-13-11-15(4-6-19(13)31-12-14)32-20-8-9-26-24-16(20)5-7-21(30)28-24/h1-4,6,8-9,11,14H,5,7,10,12H2,(H,27,29)(H,26,28,30)
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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322534
PNG
(5-[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc([nH]1)C1COc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1
Show InChI InChI=1S/C27H24N4O5S/c1-37(33,34)20-5-2-16(3-6-20)22-14-29-26(30-22)18-12-17-13-19(4-8-23(17)35-15-18)36-24-10-11-28-27-21(24)7-9-25(32)31-27/h2-6,8,10-11,13-14,18H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32)
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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322547
PNG
(2-Methyl-4-[3-(5-phenyl-1H-imidazol-2-yl)chroman-6...)
Show SMILES Cc1cc(Oc2ccc3OCC(Cc3c2)c2ncc([nH]2)-c2ccccc2)ccn1
Show InChI InChI=1S/C24H21N3O2/c1-16-11-21(9-10-25-16)29-20-7-8-23-18(13-20)12-19(15-28-23)24-26-14-22(27-24)17-5-3-2-4-6-17/h2-11,13-14,19H,12,15H2,1H3,(H,26,27)
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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM322539
PNG
(5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)chroman-6-yl]o...)
Show SMILES O=C1CCc2c(Oc3ccc4OCC(Cc4c3)c3nc(no3)-c3ccccc3)ccnc2N1
Show InChI InChI=1S/C25H20N4O4/c30-22-9-7-19-21(10-11-26-24(19)27-22)32-18-6-8-20-16(13-18)12-17(14-31-20)25-28-23(29-33-25)15-4-2-1-3-5-15/h1-6,8,10-11,13,17H,7,9,12,14H2,(H,26,27,30)
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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM238351
PNG
(US9388165, 11)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cccc4c(N)nccc34)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H23F3N6O2/c1-16-6-7-18(10-25(16)37-28(40)24-5-3-4-23-22(24)8-9-34-26(23)33)27(39)36-20-11-19(29(30,31)32)12-21(13-20)38-14-17(2)35-15-38/h3-15H,1-2H3,(H2,33,34)(H,36,39)(H,37,40)
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n/an/a 94.8n/an/an/an/an/an/a



HANMI PHARM. CO., LTD.

US Patent


Assay Description
The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...


US Patent US9388165 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BF9
More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM238352
PNG
(US9388165, 14)
Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1NC(=O)c1cccc2c(N)nccc12
Show InChI InChI=1S/C25H20F3N5O2/c1-14-8-9-17(32-24(35)31-16-5-2-4-15(12-16)25(26,27)28)13-21(14)33-23(34)20-7-3-6-19-18(20)10-11-30-22(19)29/h2-13H,1H3,(H2,29,30)(H,33,34)(H2,31,32,35)
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HANMI PHARM. CO., LTD.

US Patent


Assay Description
The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...


US Patent US9388165 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BF9
More data for this
Ligand-Target Pair
C-RAF (Y340D Y341D)


(Homo sapiens (Human))
BDBM50396483
PNG
(PLX-4032 | RG 7204 | Ro 5185426 | US9388165, Refer...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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HANMI PHARM. CO., LTD.

US Patent


Assay Description
The compounds prepared in Examples were tested for inhibitory activities against three subtypes of RAF, i.e. RAF1 Y340D Y341D, BRAF normal type and B...


US Patent US9388165 (2016)


BindingDB Entry DOI: 10.7270/Q2F76BF9
More data for this
Ligand-Target Pair