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Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 146   
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))
BDBM186829
PNG
(US9670203, Compound 1.21)
Show SMILES Fc1ccccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C24H19FN4O4/c25-15-3-1-2-4-16(15)27-24(31)29-21-20-14-11-12(5-7-17(14)33-22(20)21)32-18-9-10-26-23-13(18)6-8-19(30)28-23/h1-5,7,9-11,20-22H,6,8H2,(H,26,28,30)(H2,27,29,31)/t20-,21-,22-/s2
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n/an/a 66n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM188335
PNG
(US9670203, Compound 1.41)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1 |r|
Show InChI InChI=1/C24H19FN4O4/c25-12-1-3-13(4-2-12)27-24(31)29-21-20-16-11-14(5-7-17(16)33-22(20)21)32-18-9-10-26-23-15(18)6-8-19(30)28-23/h1-5,7,9-11,20-22H,6,8H2,(H,26,28,30)(H2,27,29,31)/t20-,21-,22-/s2
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n/an/a 150n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186830
PNG
(US9670203, Compound 1.22 | US9670203, Compound 1.5...)
Show SMILES Fc1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C24H19FN4O4/c25-12-2-1-3-13(10-12)27-24(31)29-21-20-16-11-14(4-6-17(16)33-22(20)21)32-18-8-9-26-23-15(18)5-7-19(30)28-23/h1-4,6,8-11,20-22H,5,7H2,(H,26,28,30)(H2,27,29,31)/t20-,21-,22-/s2
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n/an/a 180n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM189734
PNG
(US9670203, Compound 1.49)
Show SMILES Fc1cc(F)c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1F |r|
Show InChI InChI=1/C24H17F3N4O4/c25-13-8-15(27)16(9-14(13)26)29-24(33)31-21-20-12-7-10(1-3-17(12)35-22(20)21)34-18-5-6-28-23-11(18)2-4-19(32)30-23/h1,3,5-9,20-22H,2,4H2,(H,28,30,32)(H2,29,31,33)/t20-,21-,22-/s2
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n/an/a 190n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM188334
PNG
(US9670203, Compound 1.40)
Show SMILES Fc1cc(F)c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c(F)c1 |r|
Show InChI InChI=1/C24H17F3N4O4/c25-10-7-14(26)20(15(27)8-10)30-24(33)31-21-19-13-9-11(1-3-16(13)35-22(19)21)34-17-5-6-28-23-12(17)2-4-18(32)29-23/h1,3,5-9,19,21-22H,2,4H2,(H,28,29,32)(H2,30,31,33)/t19-,21-,22-/s2
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n/an/a 200n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM189299
PNG
(US9670203, Compound 1.44)
Show SMILES Fc1cccc(F)c1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C24H18F2N4O4/c25-14-2-1-3-15(26)20(14)29-24(32)30-21-19-13-10-11(4-6-16(13)34-22(19)21)33-17-8-9-27-23-12(17)5-7-18(31)28-23/h1-4,6,8-10,19,21-22H,5,7H2,(H,27,28,31)(H2,29,30,32)/t19-,21-,22-/s2
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n/an/a 210n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM189302
PNG
(US9670203, Compound 1.46)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c(F)c1F |r|
Show InChI InChI=1/C24H17F3N4O4/c25-13-3-4-14(20(27)19(13)26)29-24(33)31-21-18-12-9-10(1-5-15(12)35-22(18)21)34-16-7-8-28-23-11(16)2-6-17(32)30-23/h1,3-5,7-9,18,21-22H,2,6H2,(H,28,30,32)(H2,29,31,33)/t18-,21-,22-/s2
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n/an/a 220n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM188336
PNG
(US9670203, Compound 1.42)
Show SMILES Fc1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1F |r|
Show InChI InChI=1/C24H18F2N4O4/c25-14-2-1-3-15(20(14)26)28-24(32)30-21-19-13-10-11(4-6-16(13)34-22(19)21)33-17-8-9-27-23-12(17)5-7-18(31)29-23/h1-4,6,8-10,19,21-22H,5,7H2,(H,27,29,31)(H2,28,30,32)/t19-,21-,22-/s2
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n/an/a 240n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM189824
PNG
(US9670203, Compound 1.52)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCCCC1 |r|
Show InChI InChI=1/C25H28N4O4/c30-20-10-8-16-19(11-12-26-24(16)28-20)32-15-7-9-18-17(13-15)21-22(23(21)33-18)29-25(31)27-14-5-3-1-2-4-6-14/h7,9,11-14,21-23H,1-6,8,10H2,(H,26,28,30)(H2,27,29,31)/t21-,22-,23-/s2
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n/an/a 250n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM188175
PNG
(US9670203, Compound 1.35)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c(F)c1 |r|
Show InChI InChI=1/C24H18F2N4O4/c25-11-1-4-16(15(26)9-11)28-24(32)30-21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-23-13(18)3-6-19(31)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/s2
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n/an/a 250n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM189930
PNG
(US9670203, Compound 1.66)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCCC1 |r|
Show InChI InChI=1/C24H26N4O4/c29-19-9-7-15-18(10-11-25-23(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)28-24(30)26-13-4-2-1-3-5-13/h6,8,10-13,20-22H,1-5,7,9H2,(H,25,27,29)(H2,26,28,30)/t20-,21-,22-/s2
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BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM189294
PNG
(US9670203, Compound 1.43)
Show SMILES Fc1ccc(F)c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C24H18F2N4O4/c25-11-1-4-15(26)16(9-11)28-24(32)30-21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-23-13(18)3-6-19(31)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/s2
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n/an/a 260n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM190878
PNG
(US9670203, Compound 1.75 1-(2-methoxypyridin-4-yl)...)
Show SMILES COc1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)ccn1 |r|
Show InChI InChI=1/C24H21N5O5/c1-32-19-10-12(6-8-25-19)27-24(31)29-21-20-15-11-13(2-4-16(15)34-22(20)21)33-17-7-9-26-23-14(17)3-5-18(30)28-23/h2,4,6-11,20-22H,3,5H2,1H3,(H,26,28,30)(H2,25,27,29,31)/t20-,21-,22-/s2
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n/an/a 270n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM189301
PNG
(US9670203, Compound 1.45)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1F |r|
Show InChI InChI=1/C24H18F2N4O4/c25-15-4-1-11(9-16(15)26)28-24(32)30-21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-23-13(18)3-6-19(31)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/s2
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n/an/a 300n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186831
PNG
(US9670203, Compound 1.23)
Show SMILES Fc1cc(F)cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C24H18F2N4O4/c25-11-7-12(26)9-13(8-11)28-24(32)30-21-20-16-10-14(1-3-17(16)34-22(20)21)33-18-5-6-27-23-15(18)2-4-19(31)29-23/h1,3,5-10,20-22H,2,4H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/s2
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BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186814
PNG
(US9670203, Compound 1.6)
Show SMILES COc1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1Cl |r|
Show InChI InChI=1/C25H21ClN4O5/c1-33-18-4-2-3-15(21(18)26)28-25(32)30-22-20-14-11-12(5-7-16(14)35-23(20)22)34-17-9-10-27-24-13(17)6-8-19(31)29-24/h2-5,7,9-11,20,22-23H,6,8H2,1H3,(H,27,29,31)(H2,28,30,32)/t20-,22-,23-/s2
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n/an/a 330n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186323
PNG
(US9670203, Compound 1.1 1-((1S,1aS,6bS)-5-((7-oxo-...)
Show SMILES FC(F)(F)c1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C25H19F3N4O4/c26-25(27,28)12-2-1-3-13(10-12)30-24(34)32-21-20-16-11-14(4-6-17(16)36-22(20)21)35-18-8-9-29-23-15(18)5-7-19(33)31-23/h1-4,6,8-11,20-22H,5,7H2,(H,29,31,33)(H2,30,32,34)/t20-,21-,22-/s2
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n/an/a 340n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM190858
PNG
(US9670203, Compound 1.71 1-((1R,1aR,6bR)-5-((7-oxo...)
Show SMILES FC(F)(F)c1cccc(NC(=O)N[C@H]2[C@@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@H]23)c1 |r|
Show InChI InChI=1/C25H19F3N4O4/c26-25(27,28)12-2-1-3-13(10-12)30-24(34)32-21-20-16-11-14(4-6-17(16)36-22(20)21)35-18-8-9-29-23-15(18)5-7-19(33)31-23/h1-4,6,8-11,20-22H,5,7H2,(H,29,31,33)(H2,30,32,34)/t20-,21-,22-/s2
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n/an/a 340n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186815
PNG
(US9670203, Compound 1.7)
Show SMILES Cc1cc(Cl)ccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C25H21ClN4O4/c1-12-10-13(26)2-5-17(12)28-25(32)30-22-21-16-11-14(3-6-18(16)34-23(21)22)33-19-8-9-27-24-15(19)4-7-20(31)29-24/h2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,29,31)(H2,28,30,32)/t21-,22-,23-/s2
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n/an/a 350n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186832
PNG
(US9670203, Compound 1.24)
Show SMILES Cc1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)ccc1F |r|
Show InChI InChI=1/C25H21FN4O4/c1-12-10-13(2-5-17(12)26)28-25(32)30-22-21-16-11-14(3-6-18(16)34-23(21)22)33-19-8-9-27-24-15(19)4-7-20(31)29-24/h2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,29,31)(H2,28,30,32)/t21-,22-,23-/s2
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n/an/a 370n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM190915
PNG
(US9670203, Compound 1.79)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)N[C@H]1CCCc2ccccc12 |r|
Show InChI InChI=1/C28H26N4O4/c33-23-11-9-18-22(12-13-29-27(18)31-23)35-16-8-10-21-19(14-16)24-25(26(24)36-21)32-28(34)30-20-7-3-5-15-4-1-2-6-17(15)20/h1-2,4,6,8,10,12-14,20,24-26H,3,5,7,9,11H2,(H,29,31,33)(H2,30,32,34)/t20-,24-,25-,26-/s2
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n/an/a 390n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM190916
PNG
(US9670203, Compound 1.80)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1/C28H26N4O4/c33-23-11-9-18-22(12-13-29-27(18)31-23)35-16-8-10-21-19(14-16)24-25(26(24)36-21)32-28(34)30-20-7-3-5-15-4-1-2-6-17(15)20/h1-2,4,6,8,10,12-14,20,24-26H,3,5,7,9,11H2,(H,29,31,33)(H2,30,32,34)/t20-,24+,25+,26+/s2
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n/an/a 500n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM189357
PNG
(US9670203, Compound 1.47)
Show SMILES Fc1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc(F)c1F |r|
Show InChI InChI=1S/C17H23NO2/c1-13-17(2,3)14-9-6-7-10-15(14)18(13)12-8-4-5-11-16(19)20/h6-7,9-10H,1,4-5,8,11-12H2,2-3H3,(H,19,20)
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n/an/a 530n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186811
PNG
(US9670203, Compound 1.3)
Show SMILES COc1ccc(CNC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1 |r|
Show InChI InChI=1/C26H24N4O5/c1-33-15-4-2-14(3-5-15)13-28-26(32)30-23-22-18-12-16(6-8-19(18)35-24(22)23)34-20-10-11-27-25-17(20)7-9-21(31)29-25/h2-6,8,10-12,22-24H,7,9,13H2,1H3,(H,27,29,31)(H2,28,30,32)/t22-,23-,24-/s2
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n/an/a 540n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM188175
PNG
(US9670203, Compound 1.35)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c(F)c1 |r|
Show InChI InChI=1/C24H18F2N4O4/c25-11-1-4-16(15(26)9-11)28-24(32)30-21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-23-13(18)3-6-19(31)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/s2
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n/an/a 590n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189798
PNG
(US9670203, Compound 1.51)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)NC1CCCC1 |r|
Show InChI InChI=1/C23H24N4O4/c28-18-8-6-14-17(9-10-24-22(14)26-18)30-13-5-7-16-15(11-13)19-20(21(19)31-16)27-23(29)25-12-3-1-2-4-12/h5,7,9-12,19-21H,1-4,6,8H2,(H,24,26,28)(H2,25,27,29)/t19-,20-,21-/s2
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n/an/a 590n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM186830
PNG
(US9670203, Compound 1.22 | US9670203, Compound 1.5...)
Show SMILES Fc1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C24H19FN4O4/c25-12-2-1-3-13(10-12)27-24(31)29-21-20-16-11-14(4-6-17(16)33-22(20)21)32-18-8-9-26-23-15(18)5-7-19(30)28-23/h1-4,6,8-11,20-22H,5,7H2,(H,26,28,30)(H2,27,29,31)/t20-,21-,22-/s2
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n/an/a 710n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM190914
PNG
(US9670203, Compound 1.78)
Show SMILES CCCCCCNC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C24H28N4O4/c1-2-3-4-5-11-26-24(30)28-21-20-16-13-14(6-8-17(16)32-22(20)21)31-18-10-12-25-23-15(18)7-9-19(29)27-23/h6,8,10,12-13,20-22H,2-5,7,9,11H2,1H3,(H,25,27,29)(H2,26,28,30)/t20-,21-,22-/s2
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n/an/a 720n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189402
PNG
(US9670203, Compound 1.48)
Show SMILES Fc1ccc(F)c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1F |r|
Show InChI InChI=1/C24H17F3N4O4/c25-13-3-4-14(26)20(19(13)27)30-24(33)31-21-18-12-9-10(1-5-15(12)35-22(18)21)34-16-7-8-28-23-11(16)2-6-17(32)29-23/h1,3-5,7-9,18,21-22H,2,6H2,(H,28,29,32)(H2,30,31,33)/t18-,21-,22-/s2
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n/an/a 740n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186810
PNG
(US9670203, Compound 1.2)
Show SMILES FC(F)(F)c1ccnc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C24H18F3N5O4/c25-24(26,27)11-5-7-28-17(9-11)30-23(34)32-20-19-14-10-12(1-3-15(14)36-21(19)20)35-16-6-8-29-22-13(16)2-4-18(33)31-22/h1,3,5-10,19-21H,2,4H2,(H,29,31,33)(H2,28,30,32,34)/t19-,20-,21-/s2
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n/an/a 770n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189836
PNG
(US9670203, Compound 1.58)
Show SMILES Fc1cccc(CNC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C25H21FN4O4/c26-14-3-1-2-13(10-14)12-28-25(32)30-22-21-17-11-15(4-6-18(17)34-23(21)22)33-19-8-9-27-24-16(19)5-7-20(31)29-24/h1-4,6,8-11,21-23H,5,7,12H2,(H,27,29,31)(H2,28,30,32)/t21-,22-,23-/s2
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n/an/a 770n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186840
PNG
(US9670203, Compound 1.28)
Show SMILES Clc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1Cl |r|
Show InChI InChI=1/C24H18Cl2N4O4/c25-15-4-1-11(9-16(15)26)28-24(32)30-21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-23-13(18)3-6-19(31)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/s2
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n/an/a 770n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189302
PNG
(US9670203, Compound 1.46)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c(F)c1F |r|
Show InChI InChI=1/C24H17F3N4O4/c25-13-3-4-14(20(27)19(13)26)29-24(33)31-21-18-12-9-10(1-5-15(12)35-22(18)21)34-16-7-8-28-23-11(16)2-6-17(32)30-23/h1,3-5,7-9,18,21-22H,2,6H2,(H,28,30,32)(H2,29,31,33)/t18-,21-,22-/s2
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n/an/a 780n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189794
PNG
(US9670203, Compound 1.50)
Show SMILES COc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1 |r|
Show InChI InChI=1/C25H22N4O5/c1-32-14-4-2-13(3-5-14)27-25(31)29-22-21-17-12-15(6-8-18(17)34-23(21)22)33-19-10-11-26-24-16(19)7-9-20(30)28-24/h2-6,8,10-12,21-23H,7,9H2,1H3,(H,26,28,30)(H2,27,29,31)/t21-,22-,23-/s2
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n/an/a 800n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM188335
PNG
(US9670203, Compound 1.41)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1 |r|
Show InChI InChI=1/C24H19FN4O4/c25-12-1-3-13(4-2-12)27-24(31)29-21-20-16-11-14(5-7-17(16)33-22(20)21)32-18-9-10-26-23-15(18)6-8-19(30)28-23/h1-5,7,9-11,20-22H,6,8H2,(H,26,28,30)(H2,27,29,31)/t20-,21-,22-/s2
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n/an/a 800n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM190853
PNG
(US9670203, Compound 1.70 1-(3-(2-aminopropan-2-yl)...)
Show SMILES CC(C)(N)c1cc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc(c1)C(F)(F)F |r|
Show InChI InChI=1/C28H26F3N5O4/c1-27(2,32)13-9-14(28(29,30)31)11-15(10-13)34-26(38)36-23-22-18-12-16(3-5-19(18)40-24(22)23)39-20-7-8-33-25-17(20)4-6-21(37)35-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,33,35,37)(H2,34,36,38)/t22-,23-,24-/s2
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n/an/a 810n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM190870
PNG
(US9670203, Compound 1.73 1-(4-((4-ethylpiperazin-1...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)N[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7NC(=O)CCc67)cc5[C@@H]34)cc2C(F)(F)F)CC1 |r|
Show InChI InChI=1/C32H33F3N6O4/c1-2-40-11-13-41(14-12-40)17-18-3-4-19(15-23(18)32(33,34)35)37-31(43)39-28-27-22-16-20(5-7-24(22)45-29(27)28)44-25-9-10-36-30-21(25)6-8-26(42)38-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,36,38,42)(H2,37,39,43)/t27-,28-,29-/s2
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n/an/a 840n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189839
PNG
(US9670203, Compound 1.59)
Show SMILES Fc1ccc(CNC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1 |r|
Show InChI InChI=1/C25H21FN4O4/c26-14-3-1-13(2-4-14)12-28-25(32)30-22-21-17-11-15(5-7-18(17)34-23(21)22)33-19-9-10-27-24-16(19)6-8-20(31)29-24/h1-5,7,9-11,21-23H,6,8,12H2,(H,27,29,31)(H2,28,30,32)/t21-,22-,23-/s2
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n/an/a 840n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM188327
PNG
(US9670203, Compound 1.37)
Show SMILES Clc1ccnc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C23H18ClN5O4/c24-11-5-7-25-17(9-11)27-23(31)29-20-19-14-10-12(1-3-15(14)33-21(19)20)32-16-6-8-26-22-13(16)2-4-18(30)28-22/h1,3,5-10,19-21H,2,4H2,(H,26,28,30)(H2,25,27,29,31)/t19-,20-,21-/s2
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n/an/a 850n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM188336
PNG
(US9670203, Compound 1.42)
Show SMILES Fc1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1F |r|
Show InChI InChI=1/C24H18F2N4O4/c25-14-2-1-3-15(20(14)26)28-24(32)30-21-19-13-10-11(4-6-16(13)34-22(19)21)33-17-8-9-27-23-12(17)5-7-18(31)29-23/h1-4,6,8-10,19,21-22H,5,7H2,(H,27,29,31)(H2,28,30,32)/t19-,21-,22-/s2
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n/an/a 940n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM186820
PNG
(US9670203, Compound 1.12)
Show SMILES Fc1c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cccc1C(F)(F)F |r|
Show InChI InChI=1/C25H18F4N4O4/c26-20-14(25(27,28)29)2-1-3-15(20)31-24(35)33-21-19-13-10-11(4-6-16(13)37-22(19)21)36-17-8-9-30-23-12(17)5-7-18(34)32-23/h1-4,6,8-10,19,21-22H,5,7H2,(H,30,32,34)(H2,31,33,35)/t19-,21-,22-/s2
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n/an/a 1.10E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM186815
PNG
(US9670203, Compound 1.7)
Show SMILES Cc1cc(Cl)ccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C25H21ClN4O4/c1-12-10-13(26)2-5-17(12)28-25(32)30-22-21-16-11-14(3-6-18(16)34-23(21)22)33-19-8-9-27-24-15(19)4-7-20(31)29-24/h2-3,5-6,8-11,21-23H,4,7H2,1H3,(H,27,29,31)(H2,28,30,32)/t21-,22-,23-/s2
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n/an/a 1.10E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM186829
PNG
(US9670203, Compound 1.21)
Show SMILES Fc1ccccc1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C24H19FN4O4/c25-15-3-1-2-4-16(15)27-24(31)29-21-20-14-11-12(5-7-17(14)33-22(20)21)32-18-9-10-26-23-13(18)6-8-19(30)28-23/h1-5,7,9-11,20-22H,6,8H2,(H,26,28,30)(H2,27,29,31)/t20-,21-,22-/s2
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n/an/a 1.10E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189301
PNG
(US9670203, Compound 1.45)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1F |r|
Show InChI InChI=1/C24H18F2N4O4/c25-15-4-1-11(9-16(15)26)28-24(32)30-21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-23-13(18)3-6-19(31)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/s2
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n/an/a 1.10E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189734
PNG
(US9670203, Compound 1.49)
Show SMILES Fc1cc(F)c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1F |r|
Show InChI InChI=1/C24H17F3N4O4/c25-13-8-15(27)16(9-14(13)26)29-24(33)31-21-20-12-7-10(1-3-17(12)35-22(20)21)34-18-5-6-28-23-11(18)2-4-19(32)30-23/h1,3,5-9,20-22H,2,4H2,(H,28,30,32)(H2,29,31,33)/t20-,21-,22-/s2
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n/an/a 1.20E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189294
PNG
(US9670203, Compound 1.43)
Show SMILES Fc1ccc(F)c(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C24H18F2N4O4/c25-11-1-4-15(26)16(9-11)28-24(32)30-21-20-14-10-12(2-5-17(14)34-22(20)21)33-18-7-8-27-23-13(18)3-6-19(31)29-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,27,29,31)(H2,28,30,32)/t20-,21-,22-/s2
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n/an/a 1.20E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
C-Raf (Y340D/Y341D)


(Homo sapiens (Human))
BDBM187117
PNG
(US9670203, Compound 1.32)
Show SMILES Fc1ccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)cc1C(F)(F)F |r|
Show InChI InChI=1/C25H18F4N4O4/c26-16-4-1-11(9-15(16)25(27,28)29)31-24(35)33-21-20-14-10-12(2-5-17(14)37-22(20)21)36-18-7-8-30-23-13(18)3-6-19(34)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,32,34)(H2,31,33,35)/t20-,21-,22-/s2
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n/an/a 1.20E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM188326
PNG
(US9670203, Compound 1.36)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)Nc1ccncn1 |r|
Show InChI InChI=1/C22H18N6O4/c29-17-4-2-12-15(5-8-24-21(12)27-17)31-11-1-3-14-13(9-11)18-19(20(18)32-14)28-22(30)26-16-6-7-23-10-25-16/h1,3,5-10,18-20H,2,4H2,(H,24,27,29)(H2,23,25,26,28,30)/t18-,19-,20-/s2
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n/an/a 1.30E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM186830
PNG
(US9670203, Compound 1.22 | US9670203, Compound 1.5...)
Show SMILES Fc1cccc(NC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1 |r|
Show InChI InChI=1/C24H19FN4O4/c25-12-2-1-3-13(10-12)27-24(31)29-21-20-16-11-14(4-6-17(16)33-22(20)21)32-18-8-9-26-23-15(18)5-7-19(30)28-23/h1-4,6,8-11,20-22H,5,7H2,(H,26,28,30)(H2,27,29,31)/t20-,21-,22-/s2
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n/an/a 1.30E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM189299
PNG
(US9670203, Compound 1.44)
Show SMILES Fc1cccc(F)c1NC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1/C24H18F2N4O4/c25-14-2-1-3-15(26)20(14)29-24(32)30-21-19-13-10-11(4-6-16(13)34-22(19)21)33-17-8-9-27-23-12(17)5-7-18(31)28-23/h1-4,6,8-10,19,21-22H,5,7H2,(H,27,28,31)(H2,29,30,32)/t19-,21-,22-/s2
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n/an/a 1.30E+3n/an/an/an/an/a25



BeiGene, Ltd.

US Patent


Assay Description
Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...


US Patent US9670203 (2017)


Article DOI: 10.1021/jm960802y
BindingDB Entry DOI: 10.7270/Q20Z71F5
More data for this
Ligand-Target Pair
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