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Compile Data Set for Download or QSAR

Found 84 hits of Enz. Inhib. data with enzyme = 'B-RAF V600E' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM200780
PNG
(US9670231, 1.67)
Show SMILES CCCCCC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C23H25N3O4/c1-2-3-4-5-18(27)25-21-20-15-12-13(6-8-16(15)30-22(20)21)29-17-10-11-24-23-14(17)7-9-19(28)26-23/h6,8,10-12,20-22H,2-5,7,9H2,1H3,(H,25,27)(H,24,26,28)/t20-,21-,22-/m0/s1
PDB

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UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200497
PNG
(US9670231, 1.25)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1
PDB

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US Patent
n/an/a 0.710n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200517
PNG
(US9670231, 1.39)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C24H18FN3O4/c25-13-3-1-2-12(10-13)24(30)28-21-20-16-11-14(4-6-17(16)32-22(20)21)31-18-8-9-26-23-15(18)5-7-19(29)27-23/h1-4,6,8-11,20-22H,5,7H2,(H,28,30)(H,26,27,29)/t20-,21-,22-/m0/s1
PDB

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US Patent
n/an/a 0.760n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200781
PNG
(US9670231, 1.68)
Show SMILES CCCCCCC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C24H27N3O4/c1-2-3-4-5-6-19(28)26-22-21-16-13-14(7-9-17(16)31-23(21)22)30-18-11-12-25-24-15(18)8-10-20(29)27-24/h7,9,11-13,21-23H,2-6,8,10H2,1H3,(H,26,28)(H,25,27,29)/t21-,22-,23-/m0/s1
PDB

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US Patent
n/an/a 0.770n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200757
PNG
(US9670231, 1.59)
Show SMILES Cc1cc(ccc1CO)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C26H23N3O5/c1-13-10-14(2-3-15(13)12-30)26(32)29-23-22-18-11-16(4-6-19(18)34-24(22)23)33-20-8-9-27-25-17(20)5-7-21(31)28-25/h2-4,6,8-11,22-24,30H,5,7,12H2,1H3,(H,29,32)(H,27,28,31)/t22-,23-,24-/m0/s1
PDB

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US Patent
n/an/a 1n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200526
PNG
(US9670231, 1.41)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C24H17F2N3O4/c25-15-4-1-11(9-16(15)26)24(31)29-21-20-14-10-12(2-5-17(14)33-22(20)21)32-18-7-8-27-23-13(18)3-6-19(30)28-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,29,31)(H,27,28,30)/t20-,21-,22-/m0/s1
PDB

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PC sid
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200513
PNG
(US9670231, 1.35)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C25H18F3N3O4/c26-25(27,28)13-3-1-2-12(10-13)24(33)31-21-20-16-11-14(4-6-17(16)35-22(20)21)34-18-8-9-29-23-15(18)5-7-19(32)30-23/h1-4,6,8-11,20-22H,5,7H2,(H,31,33)(H,29,30,32)/t20-,21-,22-/m0/s1
PDB

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PC sid
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200760
PNG
(US9670231, 1.62)
Show SMILES FC(F)(F)c1cncc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C24H17F3N4O4/c25-24(26,27)12-7-11(9-28-10-12)23(33)31-20-19-15-8-13(1-3-16(15)35-21(19)20)34-17-5-6-29-22-14(17)2-4-18(32)30-22/h1,3,5-10,19-21H,2,4H2,(H,31,33)(H,29,30,32)/t19-,20-,21-/m0/s1
PDB

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PC sid
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200514
PNG
(US9670231, 1.36)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C24H18FN3O4/c25-13-3-1-12(2-4-13)24(30)28-21-20-16-11-14(5-7-17(16)32-22(20)21)31-18-9-10-26-23-15(18)6-8-19(29)27-23/h1-5,7,9-11,20-22H,6,8H2,(H,28,30)(H,26,27,29)/t20-,21-,22-/m0/s1
PDB

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PC sid
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US Patent
n/an/a 1.40n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200758
PNG
(US9670231, 1.60)
Show SMILES FC(F)(F)c1cccc(CC(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)c1
Show InChI InChI=1S/C26H20F3N3O4/c27-26(28,29)14-3-1-2-13(10-14)11-21(34)31-23-22-17-12-15(4-6-18(17)36-24(22)23)35-19-8-9-30-25-16(19)5-7-20(33)32-25/h1-4,6,8-10,12,22-24H,5,7,11H2,(H,31,34)(H,30,32,33)/t22-,23-,24-/m0/s1
PDB

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PC sid
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US Patent
n/an/a 1.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200759
PNG
(US9670231, 1.61)
Show SMILES FC(F)(F)c1cc(ccn1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C24H17F3N4O4/c25-24(26,27)17-9-11(5-7-28-17)23(33)31-20-19-14-10-12(1-3-15(14)35-21(19)20)34-16-6-8-29-22-13(16)2-4-18(32)30-22/h1,3,5-10,19-21H,2,4H2,(H,31,33)(H,29,30,32)/t19-,20-,21-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200008
PNG
(US9670231, 1.6)
Show SMILES CCN1CCN(Cc2cc(F)cc(c2)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32FN5O4/c1-2-36-9-11-37(12-10-36)17-18-13-19(15-20(32)14-18)31(39)35-28-27-23-16-21(3-5-24(23)41-29(27)28)40-25-7-8-33-30-22(25)4-6-26(38)34-30/h3,5,7-8,13-16,27-29H,2,4,6,9-12,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1
PDB

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PC cid
PC sid
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US Patent
n/an/a 1.70n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200782
PNG
(US9670231, 1.69)
Show SMILES CCCCCCCC(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C25H29N3O4/c1-2-3-4-5-6-7-20(29)27-23-22-17-14-15(8-10-18(17)32-24(22)23)31-19-12-13-26-25-16(19)9-11-21(30)28-25/h8,10,12-14,22-24H,2-7,9,11H2,1H3,(H,27,29)(H,26,28,30)/t22-,23-,24-/m0/s1
PDB

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n/an/a 2n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200498
PNG
(US9670231, 1.26)
Show SMILES NC1(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C28H23F3N4O4/c29-28(30,31)15-10-13(9-14(11-15)27(32)6-7-27)26(37)35-23-22-18-12-16(1-3-19(18)39-24(22)23)38-20-5-8-33-25-17(20)2-4-21(36)34-25/h1,3,5,8-12,22-24H,2,4,6-7,32H2,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1
PDB

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PC sid
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US Patent
n/an/a 2.20n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200537
PNG
(US9670231, 1.46)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)c1cccc(c1)C1(CC1)C#N
Show InChI InChI=1S/C28H22N4O4/c29-14-28(9-10-28)16-3-1-2-15(12-16)27(34)32-24-23-19-13-17(4-6-20(19)36-25(23)24)35-21-8-11-30-26-18(21)5-7-22(33)31-26/h1-4,6,8,11-13,23-25H,5,7,9-10H2,(H,32,34)(H,30,31,33)/t23-,24-,25-/m0/s1
PDB

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n/an/a 2.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200761
PNG
(US9670231, 1.63)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C24H17F3N4O4/c25-24(26,27)17-3-1-2-14(29-17)23(33)31-20-19-13-10-11(4-6-15(13)35-21(19)20)34-16-8-9-28-22-12(16)5-7-18(32)30-22/h1-4,6,8-10,19-21H,5,7H2,(H,31,33)(H,28,30,32)/t19-,20-,21-/m0/s1
PDB

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PC sid
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US Patent
n/an/a 2.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200536
PNG
(US9670231, 1.45)
Show SMILES FC(F)(F)c1ccnc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C24H17F3N4O4/c25-24(26,27)11-5-7-28-15(9-11)23(33)31-20-19-14-10-12(1-3-16(14)35-21(19)20)34-17-6-8-29-22-13(17)2-4-18(32)30-22/h1,3,5-10,19-21H,2,4H2,(H,31,33)(H,29,30,32)/t19-,20-,21-/m0/s1
PDB

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n/an/a 3.10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200779
PNG
(US9670231, 1.66)
Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C28H25F3N4O4/c1-35(2)13-14-9-15(11-16(10-14)28(29,30)31)27(37)34-24-23-19-12-17(3-5-20(19)39-25(23)24)38-21-7-8-32-26-18(21)4-6-22(36)33-26/h3,5,7-12,23-25H,4,6,13H2,1-2H3,(H,34,37)(H,32,33,36)/t23-,24-,25-/m0/s1
PDB

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n/an/a 3.60n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200796
PNG
(US9670231, 1.76)
Show SMILES OCc1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C26H20F3N3O5/c27-26(28,29)17-9-12(1-2-13(17)11-33)25(35)32-22-21-16-10-14(3-5-18(16)37-23(21)22)36-19-7-8-30-24-15(19)4-6-20(34)31-24/h1-3,5,7-10,21-23,33H,4,6,11H2,(H,32,35)(H,30,31,34)/t21-,22-,23-/m0/s1
PDB

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n/an/a 3.70n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200528
PNG
(US9670231, 1.43)
Show SMILES CC(C)(C#N)c1cccc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C28H24N4O4/c1-28(2,14-29)16-5-3-4-15(12-16)27(34)32-24-23-19-13-17(6-8-20(19)36-25(23)24)35-21-10-11-30-26-18(21)7-9-22(33)31-26/h3-6,8,10-13,23-25H,7,9H2,1-2H3,(H,32,34)(H,30,31,33)/t23-,24-,25-/m0/s1
PDB

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US Patent
n/an/a 4.10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200516
PNG
(US9670231, 1.38)
Show SMILES Fc1ccccc1C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C24H18FN3O4/c25-16-4-2-1-3-13(16)24(30)28-21-20-15-11-12(5-7-17(15)32-22(20)21)31-18-9-10-26-23-14(18)6-8-19(29)27-23/h1-5,7,9-11,20-22H,6,8H2,(H,28,30)(H,26,27,29)/t20-,21-,22-/m0/s1
PDB

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US Patent
n/an/a 4.70n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200529
PNG
(US9670231, 1.44)
Show SMILES FC(F)(F)c1ccccc1C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C25H18F3N3O4/c26-25(27,28)16-4-2-1-3-13(16)24(33)31-21-20-15-11-12(5-7-17(15)35-22(20)21)34-18-9-10-29-23-14(18)6-8-19(32)30-23/h1-5,7,9-11,20-22H,6,8H2,(H,31,33)(H,29,30,32)/t20-,21-,22-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200490
PNG
(US9670231, 1.22)
Show SMILES CN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C30H30ClN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200551
PNG
(US9670231, 1.54)
Show SMILES O=C(N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12)c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C28H21N3O5/c32-23-11-7-17-21(12-13-29-27(17)30-23)34-16-6-8-20-18(14-16)24-25(26(24)36-20)31-28(33)22-10-9-19(35-22)15-4-2-1-3-5-15/h1-6,8-10,12-14,24-26H,7,11H2,(H,31,33)(H,29,30,32)/t24-,25-,26-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM199967
PNG
(BDBM200762 | US9670231, 1.1)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200487
PNG
(US9670231, 1.19)
Show SMILES CCN1CCN(Cc2ccc(cc2Br)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32BrN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200491
PNG
(US9670231, 1.23)
Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C30H30BrN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200630
PNG
(US9670231, 1.58)
Show SMILES CN1CCN(Cc2ccc(cc2C)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H33N5O4/c1-18-15-19(3-4-20(18)17-36-13-11-35(2)12-14-36)31(38)34-28-27-23-16-21(5-7-24(23)40-29(27)28)39-25-9-10-32-30-22(25)6-8-26(37)33-30/h3-5,7,9-10,15-16,27-29H,6,8,11-14,17H2,1-2H3,(H,34,38)(H,32,33,37)/t27-,28-,29-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200478
PNG
(US9670231, 1.18)
Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32ClN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200335
PNG
(US9670231, 1.11)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C30H31N5O4/c1-34-12-14-35(15-13-34)17-18-2-4-19(5-3-18)30(37)33-27-26-22-16-20(6-8-23(22)39-28(26)27)38-24-10-11-31-29-21(24)7-9-25(36)32-29/h2-6,8,10-11,16,26-28H,7,9,12-15,17H2,1H3,(H,33,37)(H,31,32,36)/t26-,27-,28-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200501
PNG
(US9670231, 1.29)
Show SMILES C[C@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1
Show InChI InChI=1S/C31H30F3N5O4/c1-16-14-39(11-10-35-16)15-18-3-2-17(12-22(18)31(32,33)34)30(41)38-27-26-21-13-19(4-6-23(21)43-28(26)27)42-24-8-9-36-29-20(24)5-7-25(40)37-29/h2-4,6,8-9,12-13,16,26-28,35H,5,7,10-11,14-15H2,1H3,(H,38,41)(H,36,37,40)/t16-,26-,27-,28-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200627
PNG
(US9670231, 1.57)
Show SMILES CCN1CCN(Cc2ccc(cc2C)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C32H35N5O4/c1-3-36-12-14-37(15-13-36)18-21-5-4-20(16-19(21)2)32(39)35-29-28-24-17-22(6-8-25(24)41-30(28)29)40-26-10-11-33-31-23(26)7-9-27(38)34-31/h4-6,8,10-11,16-17,28-30H,3,7,9,12-15,18H2,1-2H3,(H,35,39)(H,33,34,38)/t28-,29-,30-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200792
PNG
(US9670231, 1.73)
Show SMILES CCN1CCN(Cc2ccc(cc2OC)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C32H35N5O5/c1-3-36-12-14-37(15-13-36)18-20-5-4-19(16-26(20)40-2)32(39)35-29-28-23-17-21(6-8-24(23)42-30(28)29)41-25-10-11-33-31-22(25)7-9-27(38)34-31/h4-6,8,10-11,16-17,28-30H,3,7,9,12-15,18H2,1-2H3,(H,35,39)(H,33,34,38)/t28-,29-,30-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM199995
PNG
(US9670231, 1.3 | US9670231, 1.34)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40)/t26-,27-,28-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200515
PNG
(US9670231, 1.37)
Show SMILES Cc1cccc(F)c1C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C25H20FN3O4/c1-12-3-2-4-16(26)20(12)25(31)29-22-21-15-11-13(5-7-17(15)33-23(21)22)32-18-9-10-27-24-14(18)6-8-19(30)28-24/h2-5,7,9-11,21-23H,6,8H2,1H3,(H,29,31)(H,27,28,30)/t21-,22-,23-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200791
PNG
(US9670231, 1.72)
Show SMILES COc1cc(ccc1CN1CCN(C)CC1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C31H33N5O5/c1-35-11-13-36(14-12-35)17-19-4-3-18(15-25(19)39-2)31(38)34-28-27-22-16-20(5-7-23(22)41-29(27)28)40-24-9-10-32-30-21(24)6-8-26(37)33-30/h3-5,7,9-10,15-16,27-29H,6,8,11-14,17H2,1-2H3,(H,34,38)(H,32,33,37)/t27-,28-,29-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200763
PNG
(US9670231, 1.65)
Show SMILES CC1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC(C)N1C(=O)OC(C)(C)C
Show InChI InChI=1S/C37H40F3N5O6/c1-19-16-44(17-20(2)45(19)35(48)51-36(3,4)5)18-22-7-6-21(14-26(22)37(38,39)40)34(47)43-31-30-25-15-23(8-10-27(25)50-32(30)31)49-28-12-13-41-33-24(28)9-11-29(46)42-33/h6-8,10,12-15,19-20,30-32H,9,11,16-18H2,1-5H3,(H,43,47)(H,41,42,46)/t19?,20?,30-,31-,32-/m0/s1
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BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM199996
PNG
(US9670231, 1.4)
Show SMILES CCN1CCN(Cc2ccc(cc2F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32FN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1
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BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200525
PNG
(US9670231, 1.40)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C25H18F3N3O4/c26-25(27,28)13-3-1-12(2-4-13)24(33)31-21-20-16-11-14(5-7-17(16)35-22(20)21)34-18-9-10-29-23-15(18)6-8-19(32)30-23/h1-5,7,9-11,20-22H,6,8H2,(H,31,33)(H,29,30,32)/t20-,21-,22-/m0/s1
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BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200489
PNG
(US9670231, 1.21)
Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C30H30FN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1
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BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200336
PNG
(US9670231, 1.12)
Show SMILES FC(F)(F)c1cc(ccc1CN1CCN2CCC[C@@H]2C1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C33H32F3N5O4/c34-33(35,36)24-14-18(3-4-19(24)16-40-12-13-41-11-1-2-20(41)17-40)32(43)39-29-28-23-15-21(5-7-25(23)45-30(28)29)44-26-9-10-37-31-22(26)6-8-27(42)38-31/h3-5,7,9-10,14-15,20,28-30H,1-2,6,8,11-13,16-17H2,(H,39,43)(H,37,38,42)/t20-,28+,29+,30+/m1/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 9n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200527
PNG
(US9670231, 1.42)
Show SMILES Fc1cc(ccc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C25H17F4N3O4/c26-16-9-11(1-4-15(16)25(27,28)29)24(34)32-21-20-14-10-12(2-5-17(14)36-22(20)21)35-18-7-8-30-23-13(18)3-6-19(33)31-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,32,34)(H,30,31,33)/t20-,21-,22-/m0/s1
PDB

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US Patent
n/an/a 9.20n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200540
PNG
(US9670231, 1.49)
Show SMILES CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C30H28F3N5O4/c1-37-10-12-38(13-11-37)21-5-2-16(14-20(21)30(31,32)33)29(40)36-26-25-19-15-17(3-6-22(19)42-27(25)26)41-23-8-9-34-28-18(23)4-7-24(39)35-28/h2-3,5-6,8-9,14-15,25-27H,4,7,10-13H2,1H3,(H,36,40)(H,34,35,39)/t25-,26-,27-/m0/s1
PDB

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UniChem
US Patent
n/an/a 9.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200788
PNG
(US9670231, 1.71)
Show SMILES CN(C)C1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)18-10-13-40(14-11-18)23-6-3-17(15-22(23)32(33,34)35)31(42)38-28-27-21-16-19(4-7-24(21)44-29(27)28)43-25-9-12-36-30-20(25)5-8-26(41)37-30/h3-4,6-7,9,12,15-16,18,27-29H,5,8,10-11,13-14H2,1-2H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1
PDB

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n/an/a 10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200799
PNG
(US9670231, 1.78)
Show SMILES CCN1CCN(Cc2ccc(cc2OC(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C32H32F3N5O5/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-25(19)45-32(33,34)35)31(42)38-28-27-22-16-20(5-7-23(22)44-29(27)28)43-24-9-10-36-30-21(24)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1
PDB

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UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200793
PNG
(US9670231, 1.74)
Show SMILES CCN1CCC(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C33H33F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,16-18,28-30H,2,6,8,10-11,13-15H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1
PDB

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UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200538
PNG
(US9670231, 1.47)
Show SMILES CN(C)[C@H]1CCCN(C1)c1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)18-4-3-13-40(16-18)23-8-5-17(14-22(23)32(33,34)35)31(42)38-28-27-21-15-19(6-9-24(21)44-29(27)28)43-25-11-12-36-30-20(25)7-10-26(41)37-30/h5-6,8-9,11-12,14-15,18,27-29H,3-4,7,10,13,16H2,1-2H3,(H,38,42)(H,36,37,41)/t18-,27-,28-,29-/m0/s1
PDB

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n/an/a 10n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200477
PNG
(US9670231, 1.17)
Show SMILES OCCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C32H32F3N5O5/c33-32(34,35)23-15-18(1-2-19(23)17-40-11-9-39(10-12-40)13-14-41)31(43)38-28-27-22-16-20(3-5-24(22)45-29(27)28)44-25-7-8-36-30-21(25)4-6-26(42)37-30/h1-3,5,7-8,15-16,27-29,41H,4,6,9-14,17H2,(H,38,43)(H,36,37,42)/t27-,28-,29-/m0/s1
PDB

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US Patent
n/an/a 10.4n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200547
PNG
(US9670231, 1.50)
Show SMILES CCN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12
Show InChI InChI=1S/C31H30F3N5O4/c1-2-38-11-13-39(14-12-38)22-6-3-17(15-21(22)31(32,33)34)30(41)37-27-26-20-16-18(4-7-23(20)43-28(26)27)42-24-9-10-35-29-19(24)5-8-25(40)36-29/h3-4,6-7,9-10,15-16,26-28H,2,5,8,11-14H2,1H3,(H,37,41)(H,35,36,40)/t26-,27-,28-/m0/s1
PDB

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UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM200488
PNG
(US9670231, 1.20)
Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1
Show InChI InChI=1S/C33H34F3N5O4/c1-40(2)20-10-13-41(14-11-20)17-19-4-3-18(15-24(19)33(34,35)36)32(43)39-29-28-23-16-21(5-7-25(23)45-30(28)29)44-26-9-12-37-31-22(26)6-8-27(42)38-31/h3-5,7,9,12,15-16,20,28-30H,6,8,10-11,13-14,17H2,1-2H3,(H,39,43)(H,37,38,42)/t28-,29-,30-/m0/s1
PDB

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US Patent
n/an/a 11n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
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