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Patent code US10377770

Compile Data Set for Download or QSAR

Found 457 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


(Homo sapiens (Human))		BDBM410658
PNG
(US10377770, Example 491)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C[C@H](CO)[C@@H]3COCCN3c2c1
Show InChI InChI=1S/C26H25F3N4O3/c1-15-2-3-19(32-25(35)16-4-5-30-24(10-16)26(27,28)29)11-20(15)17-9-22-21(31-12-17)8-18(13-34)23-14-36-7-6-33(22)23/h2-5,9-12,18,23,34H,6-8,13-14H2,1H3,(H,32,35)/t18-,23+/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410542
PNG
(US10377770, Example 366)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2CC(CS(C)(=O)=O)C3COCCN3c2c1
Show InChI InChI=1S/C28H30F2N4O4S/c1-17-4-5-21(33-27(35)18-6-7-31-26(12-18)28(2,29)30)13-22(17)19-11-24-23(32-14-19)10-20(16-39(3,36)37)25-15-38-9-8-34(24)25/h4-7,11-14,20,25H,8-10,15-16H2,1-3H3,(H,33,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410686
PNG
(US10377770, Example 519)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C[C@](CF)(C#N)[C@@H]3COCCN3c2c1
Show InChI InChI=1S/C27H23F4N5O2/c1-16-2-3-19(35-25(37)17-4-5-33-23(9-17)27(29,30)31)10-20(16)18-8-22-21(34-12-18)11-26(14-28,15-32)24-13-38-7-6-36(22)24/h2-5,8-10,12,24H,6-7,11,13-14H2,1H3,(H,35,37)/t24-,26-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410317
PNG
(9-(5-(2-(1,1-difluoroethyl)isonicotinamido)-2-meth...)
Show SMILES CCNC(=O)C1Cc2ccc(cc2N2CCOC[C@H]12)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C29H29F3N4O3/c1-3-33-28(38)23-12-19-6-5-18(13-24(19)36-10-11-39-16-25(23)36)22-15-21(7-4-17(22)2)35-27(37)20-8-9-34-26(14-20)29(30,31)32/h4-9,13-15,23,25H,3,10-12,16H2,1-2H3,(H,33,38)(H,35,37)/t23?,25-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410462
PNG
(US10377770, Example 284)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2N(CCO)C(=O)C3CCOCCC3c2c1
Show InChI InChI=1S/C28H27F3N4O4/c1-16-2-3-19(34-26(37)17-4-7-32-24(13-17)28(29,30)31)14-22(16)18-12-23-20-5-10-39-11-6-21(20)27(38)35(8-9-36)25(23)33-15-18/h2-4,7,12-15,20-21,36H,5-6,8-11H2,1H3,(H,34,37)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410479
PNG
(US10377770, Example 301)
Show SMILES CCN1c2ncc(cc2C2CCOCC2OC1=O)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H24F3N5O4/c1-3-34-23-20(18-6-7-37-13-21(18)38-25(34)36)8-15(11-30-23)19-10-17(5-4-14(19)2)32-24(35)16-9-22(26(27,28)29)33-31-12-16/h4-5,8-12,18,21H,3,6-7,13H2,1-2H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410579
PNG
(US10377770, Example 404)
Show SMILES Cc1ccc(NC(=O)c2cncc(c2)C(F)(F)F)cc1-c1ccc2C[C@@](F)(CO)[C@H]3COCCN3c2c1
Show InChI InChI=1S/C27H25F4N3O3/c1-16-2-5-21(33-25(36)19-8-20(13-32-12-19)27(29,30)31)10-22(16)17-3-4-18-11-26(28,15-35)24-14-37-7-6-34(24)23(18)9-17/h2-5,8-10,12-13,24,35H,6-7,11,14-15H2,1H3,(H,33,36)/t24-,26-/m1/s1
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Novartis AG

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Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410437
PNG
(US10377770, Example 257)
Show SMILES CCN1C(=O)[C@@H]2COCC[C@H]2c2cc(cnc12)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H24F3N5O3/c1-3-34-23-20(18-6-7-37-13-21(18)25(34)36)8-15(11-30-23)19-10-17(5-4-14(19)2)32-24(35)16-9-22(26(27,28)29)33-31-12-16/h4-5,8-12,18,21H,3,6-7,13H2,1-2H3,(H,32,35)/t18-,21+/m0/s1
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Novartis AG

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Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410533
PNG
(US10377770, Example 357)
Show SMILES Cc1ccc(NC(=O)c2cncc(c2)C(F)(F)F)cc1-c1cnc2N(CCO)C(=O)[C@H]3CCOCC[C@]3(C)c2c1
Show InChI InChI=1S/C29H29F3N4O4/c1-17-3-4-21(35-26(38)19-11-20(16-33-14-19)29(30,31)32)13-22(17)18-12-24-25(34-15-18)36(7-8-37)27(39)23-5-9-40-10-6-28(23,24)2/h3-4,11-16,23,37H,5-10H2,1-2H3,(H,35,38)/t23-,28+/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410536
PNG
(US10377770, Example 360)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc2N(CCO)C(=O)[C@@H]3CCOCC[C@@]3(C)c2c1
Show InChI InChI=1S/C29H29F3N4O4/c1-17-22(14-21(16-33-17)35-26(38)18-4-3-5-20(12-18)29(30,31)32)19-13-24-25(34-15-19)36(8-9-37)27(39)23-6-10-40-11-7-28(23,24)2/h3-5,12-16,23,37H,6-11H2,1-2H3,(H,35,38)/t23-,28+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410446
PNG
(US10377770, Example 267)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2N(CCO)C(=O)[C@@H]3COCC[C@H]3c2c1
Show InChI InChI=1S/C28H28F2N4O4/c1-16-3-4-19(33-26(36)17-5-7-31-24(12-17)28(2,29)30)13-21(16)18-11-22-20-6-10-38-15-23(20)27(37)34(8-9-35)25(22)32-14-18/h3-5,7,11-14,20,23,35H,6,8-10,15H2,1-2H3,(H,33,36)/t20-,23+/m0/s1
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Novartis AG

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Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410438
PNG
(US10377770, Example 258)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2N(CCO)C(=O)[C@@H]3COCC[C@H]3c2c1
Show InChI InChI=1S/C27H25F3N4O4/c1-15-2-3-18(33-25(36)16-4-6-31-23(11-16)27(28,29)30)12-20(15)17-10-21-19-5-9-38-14-22(19)26(37)34(7-8-35)24(21)32-13-17/h2-4,6,10-13,19,22,35H,5,7-9,14H2,1H3,(H,33,36)/t19-,22+/m0/s1
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Novartis AG

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Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410529
PNG
(US10377770, Example 353)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2F)C(F)(F)F)cc1-c1cnc2N(CCO)C(=O)[C@@H]3CCOCC[C@@]3(C)c2c1
Show InChI InChI=1S/C29H28F4N4O4/c1-16-3-4-18(36-26(39)19-5-8-34-24(23(19)30)29(31,32)33)14-20(16)17-13-22-25(35-15-17)37(9-10-38)27(40)21-6-11-41-12-7-28(21,22)2/h3-5,8,13-15,21,38H,6-7,9-12H2,1-2H3,(H,36,39)/t21-,28+/m0/s1
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Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410464
PNG
(US10377770, Example 286)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2N(CCO)C(=O)C3CCOCCC3c2c1
Show InChI InChI=1S/C29H30F2N4O4/c1-17-3-4-20(34-27(37)18-5-8-32-25(14-18)29(2,30)31)15-23(17)19-13-24-21-6-11-39-12-7-22(21)28(38)35(9-10-36)26(24)33-16-19/h3-5,8,13-16,21-22,36H,6-7,9-12H2,1-2H3,(H,34,37)
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Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410574
PNG
(US10377770, Example 398)
Show SMILES Cc1ccc(NC(=O)c2cncc(c2)C(F)(F)F)cc1-c1ccc2C[C@](F)(CO)[C@H]3COCCN3c2c1
Show InChI InChI=1S/C27H25F4N3O3/c1-16-2-5-21(33-25(36)19-8-20(13-32-12-19)27(29,30)31)10-22(16)17-3-4-18-11-26(28,15-35)24-14-37-7-6-34(24)23(18)9-17/h2-5,8-10,12-13,24,35H,6-7,11,14-15H2,1H3,(H,33,36)/t24-,26+/m1/s1
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Novartis AG

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Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410615
PNG
((rac)-N-(5-(7-hydroxy-1,2,5,5a,6,7-hexahydro-4H-[1...)
Show SMILES Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C(O)CC3CCOCCN3c2c1
Show InChI InChI=1S/C26H25F3N4O3/c1-15-21(12-18(14-31-15)32-25(35)17-4-6-30-24(11-17)26(27,28)29)16-2-3-20-22(10-16)33-7-9-36-8-5-19(33)13-23(20)34/h2-4,6,10-12,14,19,23,34H,5,7-9,13H2,1H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410510
PNG
(US10377770, Example 333)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2N(CCO)C(=O)CC3COCCN3c2c1
Show InChI InChI=1S/C27H26F3N5O4/c1-16-2-3-19(33-26(38)17-4-5-31-23(11-17)27(28,29)30)12-21(16)18-10-22-25(32-14-18)35(6-8-36)24(37)13-20-15-39-9-7-34(20)22/h2-5,10-12,14,20,36H,6-9,13,15H2,1H3,(H,33,38)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410573
PNG
(US10377770, Example 397)
Show SMILES Cc1ccc(NC(=O)c2cncc(c2)C(F)(F)F)cc1-c1ccc2C[C@](F)(CO)[C@@H]3COCCN3c2c1
Show InChI InChI=1S/C27H25F4N3O3/c1-16-2-5-21(33-25(36)19-8-20(13-32-12-19)27(29,30)31)10-22(16)17-3-4-18-11-26(28,15-35)24-14-37-7-6-34(24)23(18)9-17/h2-5,8-10,12-13,24,35H,6-7,11,14-15H2,1H3,(H,33,36)/t24-,26-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410256
PNG
((rac)-N-(3-(1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,...)
Show SMILES CO[C@@H]1C[C@H]2COCCN2c2cc(ccc12)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)cnc1C
Show InChI InChI=1S/C27H28F2N4O3/c1-16-22(12-19(14-31-16)32-26(34)18-6-7-30-25(11-18)27(2,28)29)17-4-5-21-23(10-17)33-8-9-36-15-20(33)13-24(21)35-3/h4-7,10-12,14,20,24H,8-9,13,15H2,1-3H3,(H,32,34)/t20-,24+/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410352
PNG
(US10377770, Example 112)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2NC(=O)C3COCCN3c2c1
Show InChI InChI=1S/C24H20F3N5O3/c1-13-2-3-16(30-22(33)14-4-5-28-20(9-14)24(25,26)27)10-17(13)15-8-18-21(29-11-15)31-23(34)19-12-35-7-6-32(18)19/h2-5,8-11,19H,6-7,12H2,1H3,(H,30,33)(H,29,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410384
PNG
(US10377770, Example 144)
Show SMILES Cc1ccc(NC(=O)c2cncc(c2)C(F)(F)F)cc1-c1cnc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-18(31-24(34)16-6-17(12-29-10-16)25(26,27)28)8-20(14)15-7-21-23(30-11-15)22(33)9-19-13-35-5-4-32(19)21/h2-3,6-8,10-12,19,22,33H,4-5,9,13H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410342
PNG
(N-(3-((4aR,6R)-6-Hydroxy-1,2,4,4a,5,6-hexahydro-[1...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2[C@H](O)C[C@@H]3COCCN3c2c1
Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-17(31-24(34)15-4-5-29-22(9-15)25(26,27)28)10-19(14)16-8-20-23(30-12-16)21(33)11-18-13-35-7-6-32(18)20/h2-5,8-10,12,18,21,33H,6-7,11,13H2,1H3,(H,31,34)/t18-,21-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410350
PNG
(US10377770, Example 110)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C(=O)CC3COCCN3c2c1
Show InChI InChI=1S/C25H21F3N4O3/c1-14-2-3-17(31-24(34)15-4-5-29-22(9-15)25(26,27)28)10-19(14)16-8-20-23(30-12-16)21(33)11-18-13-35-7-6-32(18)20/h2-5,8-10,12,18H,6-7,11,13H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410356
PNG
(US10377770, Example 116 | rac-trans-2-(1,1-Difluor...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2CC(CO)C3COCCN3c2c1
Show InChI InChI=1S/C27H28F2N4O3/c1-16-3-4-20(32-26(35)17-5-6-30-25(11-17)27(2,28)29)12-21(16)18-10-23-22(31-13-18)9-19(14-34)24-15-36-8-7-33(23)24/h3-6,10-13,19,24,34H,7-9,14-15H2,1-2H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410277
PNG
((rac)-N-(3-(6-hydroxy-6-methyl-1,2,4,4a,5,6-hexahy...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2c(c1)N1CCOCC1C[C@@]2(C)O
Show InChI InChI=1S/C26H25F3N4O3/c1-15-3-4-18(32-24(34)16-5-6-30-22(10-16)26(27,28)29)11-20(15)17-9-21-23(31-13-17)25(2,35)12-19-14-36-8-7-33(19)21/h3-6,9-11,13,19,35H,7-8,12,14H2,1-2H3,(H,32,34)/t19?,25-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410387
PNG
(US10377770, Example 147)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cnc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-17(31-24(34)20-9-16(4-5-29-20)25(26,27)28)10-19(14)15-8-21-23(30-12-15)22(33)11-18-13-35-7-6-32(18)21/h2-5,8-10,12,18,22,33H,6-7,11,13H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410381
PNG
(US10377770, Example 141)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C27H29FN4O3/c1-16-4-5-19(31-26(34)17-6-7-29-24(11-17)27(2,3)28)12-21(16)18-10-22-25(30-14-18)23(33)13-20-15-35-9-8-32(20)22/h4-7,10-12,14,20,23,33H,8-9,13,15H2,1-3H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410393
PNG
(US10377770, Example 153)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2CC3(COC3)C3COCCN3c2c1
Show InChI InChI=1S/C27H25F3N4O3/c1-16-2-3-19(33-25(35)17-4-5-31-23(9-17)27(28,29)30)10-20(16)18-8-22-21(32-12-18)11-26(14-37-15-26)24-13-36-7-6-34(22)24/h2-5,8-10,12,24H,6-7,11,13-15H2,1H3,(H,33,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410357
PNG
(2-(1,1-Difluoroethyl)-N-(3-((4aR,5R)-5-(hydroxymet...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2C[C@@H](CO)[C@@H]3COCCN3c2c1
Show InChI InChI=1S/C27H28F2N4O3/c1-16-3-4-20(32-26(35)17-5-6-30-25(11-17)27(2,28)29)12-21(16)18-10-23-22(31-13-18)9-19(14-34)24-15-36-8-7-33(23)24/h3-6,10-13,19,24,34H,7-9,14-15H2,1-2H3,(H,32,35)/t19-,24-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410358
PNG
(2-(1,1-Difluoroethyl)-N-(3-((4aR,5R)-5-(hydroxymet...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2C[C@H](CO)[C@H]3COCCN3c2c1
Show InChI InChI=1S/C27H28F2N4O3/c1-16-3-4-20(32-26(35)17-5-6-30-25(11-17)27(2,28)29)12-21(16)18-10-23-22(31-13-18)9-19(14-34)24-15-36-8-7-33(23)24/h3-6,10-13,19,24,34H,7-9,14-15H2,1-2H3,(H,32,35)/t19-,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410362
PNG
(US10377770, Example 122 | rac-trans-N-(3-(5-(Hydro...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C[C@@H](CO)C3COCCN3c2c1
Show InChI InChI=1S/C26H25F3N4O3/c1-15-2-3-19(32-25(35)16-4-5-30-24(10-16)26(27,28)29)11-20(15)17-9-22-21(31-12-17)8-18(13-34)23-14-36-7-6-33(22)23/h2-5,9-12,18,23,34H,6-8,13-14H2,1H3,(H,32,35)/t18-,23?/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410231
PNG
((trans)-2-(1,1-difluoroethyl)-N-(3-(6-hydroxy-1,2,...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1ccc2[C@@H](O)C[C@H]3COCCN3c2c1
Show InChI InChI=1S/C27H27F2N3O3/c1-16-3-5-19(31-26(34)18-7-8-30-25(12-18)27(2,28)29)13-22(16)17-4-6-21-23(11-17)32-9-10-35-15-20(32)14-24(21)33/h3-8,11-13,20,24,33H,9-10,14-15H2,1-2H3,(H,31,34)/t20-,24-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410351
PNG
(US10377770, Example 111)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2c(c1)N1CCOCC1CC2(F)F
Show InChI InChI=1S/C25H21F5N4O2/c1-14-2-3-17(33-23(35)15-4-5-31-21(9-15)25(28,29)30)10-19(14)16-8-20-22(32-12-16)24(26,27)11-18-13-36-7-6-34(18)20/h2-5,8-10,12,18H,6-7,11,13H2,1H3,(H,33,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410363
PNG
(US10377770, Example 123 | rac-trans-N-(3-(5-(Hydro...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C[C@H](CO)C3COCCN3c2c1
Show InChI InChI=1S/C26H25F3N4O3/c1-15-2-3-19(32-25(35)16-4-5-30-24(10-16)26(27,28)29)11-20(15)17-9-22-21(31-12-17)8-18(13-34)23-14-36-7-6-33(22)23/h2-5,9-12,18,23,34H,6-8,13-14H2,1H3,(H,32,35)/t18-,23?/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410207
PNG
((trans)-N-(3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2[C@@H](O)C[C@H]3COCCN3c2c1
Show InChI InChI=1S/C26H24F3N3O3/c1-15-2-4-18(31-25(34)17-6-7-30-24(11-17)26(27,28)29)12-21(15)16-3-5-20-22(10-16)32-8-9-35-14-19(32)13-23(20)33/h2-7,10-12,19,23,33H,8-9,13-14H2,1H3,(H,31,34)/t19-,23-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410349
PNG
(US10377770, Example 109)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2[C@@H](O)C[C@H]3COCCN3c2c1
Show InChI InChI=1S/C26H26F2N4O3/c1-15-3-4-18(31-25(34)16-5-6-29-23(10-16)26(2,27)28)11-20(15)17-9-21-24(30-13-17)22(33)12-19-14-35-8-7-32(19)21/h3-6,9-11,13,19,22,33H,7-8,12,14H2,1-2H3,(H,31,34)/t19-,22-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410306
PNG
(2-(1,1-difluoroethyl)-N-(3-(5-(hydroxymethyl)-1,2,...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C[C@H](CO)[C@@H]3COCCN3c2c1
Show InChI InChI=1S/C27H26F3N3O3/c1-16-2-5-21(32-26(35)19-6-7-31-25(12-19)27(28,29)30)13-22(16)17-3-4-18-10-20(14-34)24-15-36-9-8-33(24)23(18)11-17/h2-7,11-13,20,24,34H,8-10,14-15H2,1H3,(H,32,35)/t20-,24+/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410293
PNG
(N-(3-(5,5-bis(hydroxymethyl)-1,2,4,4a,5,6-hexahydr...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1ccc2CC(CO)(CO)[C@@H]3COCCN3c2c1
Show InChI InChI=1S/C29H31F2N3O4/c1-18-3-6-22(33-27(37)20-7-8-32-25(12-20)28(2,30)31)13-23(18)19-4-5-21-14-29(16-35,17-36)26-15-38-10-9-34(26)24(21)11-19/h3-8,11-13,26,35-36H,9-10,14-17H2,1-2H3,(H,33,37)/t26-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410399
PNG
(US10377770, Example 159)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cnc2CC(CO)(CO)C3COCCN3c2c1
Show InChI InChI=1S/C27H27F3N4O4/c1-16-2-3-19(33-25(37)21-9-18(4-5-31-21)27(28,29)30)10-20(16)17-8-23-22(32-12-17)11-26(14-35,15-36)24-13-38-7-6-34(23)24/h2-5,8-10,12,24,35-36H,6-7,11,13-15H2,1H3,(H,33,37)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410223
PNG
(US10377770, Example 12)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1ccc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C29H30N4O3/c1-18-25(19-7-8-24-26(12-19)33-9-10-36-16-23(33)14-27(24)34)13-22(15-31-18)32-28(35)20-5-4-6-21(11-20)29(2,3)17-30/h4-8,11-13,15,23,27,34H,9-10,14,16H2,1-3H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410281
PNG
(US10377770, Example 43 | US10377770, Example 44)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc2c(c1)N1CCOCC1CC2(C)O
Show InChI InChI=1S/C26H25F3N4O3/c1-15-21(10-19(13-30-15)32-24(34)16-4-3-5-18(8-16)26(27,28)29)17-9-22-23(31-12-17)25(2,35)11-20-14-36-7-6-33(20)22/h3-5,8-10,12-13,20,35H,6-7,11,14H2,1-2H3,(H,32,34)
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n/an/a 0.00800n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410268
PNG
((trans)-N-(3-(6-methoxy-1,2,4,4a,5,6-hexahydro-[1,...)
Show SMILES COC1CC2COCCN2c2cc(cnc12)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C
Show InChI InChI=1S/C27H28F2N4O3/c1-16-4-5-19(32-26(34)17-6-7-30-24(11-17)27(2,28)29)12-21(16)18-10-22-25(31-14-18)23(35-3)13-20-15-36-9-8-33(20)22/h4-7,10-12,14,20,23H,8-9,13,15H2,1-3H3,(H,32,34)
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n/an/a 0.00800n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410274
PNG
((rac)-(cis)-N-(3-(6-hydroxy-1,2,4,4a,5,6-hexahydro...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc2C(O)CC3COCCN3c2c1
Show InChI InChI=1S/C25H23F3N4O3/c1-14-2-3-17(31-24(34)15-4-5-29-22(9-15)25(26,27)28)10-19(14)16-8-20-23(30-12-16)21(33)11-18-13-35-7-6-32(18)20/h2-5,8-10,12,18,21,33H,6-7,11,13H2,1H3,(H,31,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410353
PNG
(US10377770, Example 113)
Show SMILES CCN1C(=O)C2COCCN2c2cc(cnc12)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H24F3N5O3/c1-3-33-23-20(34-8-9-37-14-21(34)25(33)36)10-17(13-31-23)19-12-18(5-4-15(19)2)32-24(35)16-6-7-30-22(11-16)26(27,28)29/h4-7,10-13,21H,3,8-9,14H2,1-2H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410364
PNG
(US10377770, Example 124)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2NC(=O)CC3COCCN3c2c1
Show InChI InChI=1S/C26H25F2N5O3/c1-15-3-4-18(31-25(35)16-5-6-29-22(10-16)26(2,27)28)11-20(15)17-9-21-24(30-13-17)32-23(34)12-19-14-36-8-7-33(19)21/h3-6,9-11,13,19H,7-8,12,14H2,1-2H3,(H,31,35)(H,30,32,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410361
PNG
(N-(5-((4aR,5R)-5-(Hydroxymethyl)-1,2,4,4a,5,6-hexa...)
Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc2C[C@H](CO)[C@H]3COCCN3c2c1
Show InChI InChI=1S/C26H25F3N4O3/c1-15-21(10-20(12-30-15)32-25(35)16-3-2-4-19(7-16)26(27,28)29)17-9-23-22(31-11-17)8-18(13-34)24-14-36-6-5-33(23)24/h2-4,7,9-12,18,24,34H,5-6,8,13-14H2,1H3,(H,32,35)/t18-,24-/m1/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410380
PNG
(US10377770, Example 140)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc2C(O)C(F)C3COCCN3c2c1
Show InChI InChI=1S/C26H25F3N4O3/c1-14-3-4-17(32-25(35)15-5-6-30-21(10-15)26(2,28)29)11-18(14)16-9-19-23(31-12-16)24(34)22(27)20-13-36-8-7-33(19)20/h3-6,9-12,20,22,24,34H,7-8,13H2,1-2H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410269
PNG
(US10377770, Example 34)
Show SMILES COC1CC2COCCN2c2cc(cnc12)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H25F3N4O3/c1-15-3-4-18(32-25(34)16-5-6-30-23(10-16)26(27,28)29)11-20(15)17-9-21-24(31-13-17)22(35-2)12-19-14-36-8-7-33(19)21/h3-6,9-11,13,19,22H,7-8,12,14H2,1-2H3,(H,32,34)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410383
PNG
(US10377770, Example 143)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc2[C@@H](O)C[C@H]3COCCN3c2c1
Show InChI InChI=1S/C27H29FN4O3/c1-16-4-5-19(31-26(34)17-6-7-29-24(11-17)27(2,3)28)12-21(16)18-10-22-25(30-14-18)23(33)13-20-15-35-9-8-32(20)22/h4-7,10-12,14,20,23,33H,8-9,13,15H2,1-3H3,(H,31,34)/t20-,23-/m0/s1
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (Human))		BDBM410300
PNG
((rac)-N-(3-(5-(hydroxymethyl)-1,2,4,4a,5,6-hexahyd...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2CC(CO)C3COCCN3c2c1
Show InChI InChI=1S/C27H26F3N3O3/c1-16-2-5-21(32-26(35)19-6-7-31-25(12-19)27(28,29)30)13-22(16)17-3-4-18-10-20(14-34)24-15-36-9-8-33(24)23(18)11-17/h2-7,11-13,20,24,34H,8-10,14-15H2,1H3,(H,32,35)
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Novartis AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by well-known in vitro & in vivo methods. Raf inhibition data provided ...

US Patent US10377770 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C9T
More data for this
Ligand-Target Pair
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