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Patent code US10183939

Compile Data Set for Download or QSAR
Found 56 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
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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n/an/a 0.400n/an/an/an/an/an/a



Redx Pharma PLC

US Patent




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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Redx Pharma PLC

US Patent




US Patent US10183939 (2019)

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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Redx Pharma PLC

US Patent




US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Redx Pharma PLC

US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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Redx Pharma PLC

US Patent




US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Redx Pharma PLC

US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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US Patent




US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Redx Pharma PLC

US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Redx Pharma PLC

US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


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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Redx Pharma PLC

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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Redx Pharma PLC

US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Redx Pharma PLC

US Patent


Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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Redx Pharma PLC

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US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


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
B-Raf (V600E)


(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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Redx Pharma PLC

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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

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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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
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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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US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


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
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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))
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
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


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
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

More data for this
Ligand-Target Pair
B-Raf (V600E)


(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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Assay Description
To determine whether compounds bind to RAF kinases, they are tested in a competition binding assay. The Invitrogen LanthaScreen Eu binding assay invo...


US Patent US10183939 (2019)

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