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Compile Data Set for Download or QSAR

Found 4549 hits Enz. Inhib. hit(s) with Target = 'RAF-1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM35327
PNG
(pyridylpurine aminoisoquinoline, 1)
Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12
Show InChI InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)
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0.300n/an/an/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 55: 7332-41 (2012)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM25628
PNG
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)
Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2
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0.540n/an/an/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 55: 7332-41 (2012)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM25391
PNG
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)
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1.70n/an/an/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 55: 7332-41 (2012)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM25617
PNG
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)
Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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3.30n/an/an/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


J Med Chem 55: 7332-41 (2012)


Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50427363
PNG
(CHEMBL2326002)
Show SMILES CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl
Show InChI InChI=1S/C20H24ClFN6O/c1-11(2)20(3,29)15-10-28(8-7-23-15)19-13(21)9-14(22)17(25-19)16-12-5-4-6-24-18(12)27-26-16/h4-6,9,11,15,23,29H,7-8,10H2,1-3H3,(H,24,26,27)/t15-,20+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of c-Raf (unknown origin)


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of C-RAF


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of RAFc (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50463484
PNG
(CHEMBL4248525)
Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of RAFc (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50201033
PNG
(CHEMBL3924812)
Show SMILES Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc(OCC(O)CP(O)(O)=O)nc(c1)N1CCOCC1
Show InChI InChI=1S/C26H28F3N4O7P/c1-16-2-3-19(31-25(35)22-12-18(4-5-30-22)26(27,28)29)13-21(16)17-10-23(33-6-8-39-9-7-33)32-24(11-17)40-14-20(34)15-41(36,37)38/h2-5,10-13,20,34H,6-9,14-15H2,1H3,(H,31,35)(H2,36,37,38)
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n/an/a 0.0240n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in baculovirus infected Sf9 insect cells using full length biotinylated ME...


ACS Med Chem Lett 7: 1022-1023 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00435
BindingDB Entry DOI: 10.7270/Q27S7QRX
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50201031
PNG
(CHEMBL3961999)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc(OCCOP(O)(O)=O)c(c1)N1CCOCC1
Show InChI InChI=1S/C25H26F3N4O7P/c1-16-2-3-19(31-23(33)17-4-5-29-22(13-17)25(26,27)28)14-20(16)18-12-21(32-6-8-37-9-7-32)24(30-15-18)38-10-11-39-40(34,35)36/h2-5,12-15H,6-11H2,1H3,(H,31,33)(H2,34,35,36)
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n/an/a 0.0300n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in baculovirus infected Sf9 insect cells using full length biotinylated ME...


ACS Med Chem Lett 7: 1022-1023 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00435
BindingDB Entry DOI: 10.7270/Q27S7QRX
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202851
PNG
(US10245267, Example 829 | US10709712, Example 204 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C25H21F3N4O2S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,29,33)
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n/an/a 0.0390n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202851
PNG
(US10245267, Example 829 | US10709712, Example 204 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C25H21F3N4O2S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,29,33)
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n/an/a 0.0400n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM87817
PNG
(US10245267, Example 847 | US10709712, Example 847 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c2nccn2n1
Show InChI InChI=1S/C25H23F2N5O2/c1-16-5-6-19(29-25(33)18-4-2-3-17(13-18)23(26)27)14-20(16)21-15-22(31-9-11-34-12-10-31)24-28-7-8-32(24)30-21/h2-8,13-15,23H,9-12H2,1H3,(H,29,33)
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n/an/a 0.0400n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202851
PNG
(US10245267, Example 829 | US10709712, Example 204 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc(N2CCOCC2)c2sccc2n1
Show InChI InChI=1S/C25H21F3N4O2S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-35-21(20)23(31-22)32-8-10-34-11-9-32/h2-7,12-14H,8-11H2,1H3,(H,29,33)
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n/an/a 0.0400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM87817
PNG
(US10245267, Example 847 | US10709712, Example 847 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c2nccn2n1
Show InChI InChI=1S/C25H23F2N5O2/c1-16-5-6-19(29-25(33)18-4-2-3-17(13-18)23(26)27)14-20(16)21-15-22(31-9-11-34-12-10-31)24-28-7-8-32(24)30-21/h2-8,13-15,23H,9-12H2,1H3,(H,29,33)
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n/an/a 0.0400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202729
PNG
(US10245267, Example 75 | US10709712, Example 75 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30)
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n/an/a 0.0560n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202729
PNG
(US10245267, Example 75 | US10709712, Example 75 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30)
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n/an/a 0.0560n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202729
PNG
(US10245267, Example 75 | US10709712, Example 75 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202729
PNG
(US10245267, Example 75 | US10709712, Example 75 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C24H23F2N3O2/c1-16-5-6-20(28-24(30)19-4-2-3-18(13-19)23(25)26)15-21(16)17-7-8-27-22(14-17)29-9-11-31-12-10-29/h2-8,13-15,23H,9-12H2,1H3,(H,28,30)
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Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202850
PNG
(US10245267, Example 824 | US10709712, Example 203 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cn2ccnc2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-33-8-7-29-22(33)23(31-21)32-9-11-35-12-10-32/h2-8,13-15H,9-12H2,1H3,(H,30,34)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202850
PNG
(US10245267, Example 824 | US10709712, Example 203 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cn2ccnc2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-33-8-7-29-22(33)23(31-21)32-9-11-35-12-10-32/h2-8,13-15H,9-12H2,1H3,(H,30,34)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM88127
PNG
(US10245267, Example 1162 | US10709712, Example 116...)
Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C2CC2)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C26H29N5O4/c1-17-2-5-21(28-26(33)20-12-23(18-3-4-18)30-27-16-20)15-22(17)19-13-24(31-6-9-34-10-7-31)29-25(14-19)35-11-8-32/h2,5,12-16,18,32H,3-4,6-11H2,1H3,(H,28,33)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202850
PNG
(US10245267, Example 824 | US10709712, Example 203 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cn2ccnc2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H22F3N5O2/c1-16-5-6-19(30-24(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-33-8-7-29-22(33)23(31-21)32-9-11-35-12-10-32/h2-8,13-15H,9-12H2,1H3,(H,30,34)
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Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM88127
PNG
(US10245267, Example 1162 | US10709712, Example 116...)
Show SMILES Cc1ccc(NC(=O)c2cnnc(c2)C2CC2)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C26H29N5O4/c1-17-2-5-21(28-26(33)20-12-23(18-3-4-18)30-27-16-20)15-22(17)19-13-24(31-6-9-34-10-7-31)29-25(14-19)35-11-8-32/h2,5,12-16,18,32H,3-4,6-11H2,1H3,(H,28,33)
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Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM87829
PNG
(US10245267, Example 857 | US10709712, Example 857 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc2CCS(=O)(=O)c2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H23F3N4O4S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-37(34,35)21(20)23(31-22)32-8-10-36-11-9-32/h2-6,13-14H,7-12H2,1H3,(H,29,33)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM87741
PNG
(US10245267, Example 777 | US10709712, Example 777 ...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(nc(OC2CNC2)n1)N1CCOCC1
Show InChI InChI=1S/C28H31N7O3/c1-18-4-5-20(32-26(36)19-6-7-31-24(12-19)28(2,3)17-29)13-22(18)23-14-25(35-8-10-37-11-9-35)34-27(33-23)38-21-15-30-16-21/h4-7,12-14,21,30H,8-11,15-16H2,1-3H3,(H,32,36)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM87369
PNG
(US10245267, Example 704 | US10709712, Example 704 ...)
Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2cccc(c2)S(C)(=O)=O)ccc1C)N1CCOCC1
Show InChI InChI=1S/C25H29N5O4S/c1-4-26-25-28-22(16-23(29-25)30-10-12-34-13-11-30)21-15-19(9-8-17(21)2)27-24(31)18-6-5-7-20(14-18)35(3,32)33/h5-9,14-16H,4,10-13H2,1-3H3,(H,27,31)(H,26,28,29)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM87829
PNG
(US10245267, Example 857 | US10709712, Example 857 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1nc2CCS(=O)(=O)c2c(n1)N1CCOCC1
Show InChI InChI=1S/C25H23F3N4O4S/c1-15-5-6-18(29-24(33)16-3-2-4-17(13-16)25(26,27)28)14-19(15)22-30-20-7-12-37(34,35)21(20)23(31-22)32-8-10-36-11-9-32/h2-6,13-14H,7-12H2,1H3,(H,29,33)
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Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM87741
PNG
(US10245267, Example 777 | US10709712, Example 777 ...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(nc(OC2CNC2)n1)N1CCOCC1
Show InChI InChI=1S/C28H31N7O3/c1-18-4-5-20(32-26(36)19-6-7-31-24(12-19)28(2,3)17-29)13-22(18)23-14-25(35-8-10-37-11-9-35)34-27(33-23)38-21-15-30-16-21/h4-7,12-14,21,30H,8-11,15-16H2,1-3H3,(H,32,36)
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Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM87369
PNG
(US10245267, Example 704 | US10709712, Example 704 ...)
Show SMILES CCNc1nc(cc(n1)-c1cc(NC(=O)c2cccc(c2)S(C)(=O)=O)ccc1C)N1CCOCC1
Show InChI InChI=1S/C25H29N5O4S/c1-4-26-25-28-22(16-23(29-25)30-10-12-34-13-11-30)21-15-19(9-8-17(21)2)27-24(31)18-6-5-7-20(14-18)35(3,32)33/h5-9,14-16H,4,10-13H2,1-3H3,(H,27,31)(H,26,28,29)
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Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM88121
PNG
(US10245267, Example 1157 | US10709712, Example 115...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C2CC2)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C27H30N4O4/c1-18-2-5-22(29-27(33)20-6-7-28-24(14-20)19-3-4-19)17-23(18)21-15-25(31-8-11-34-12-9-31)30-26(16-21)35-13-10-32/h2,5-7,14-17,19,32H,3-4,8-13H2,1H3,(H,29,33)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202696
PNG
(US10245267, Example 43 | US10709712, Example 42 | ...)
Show SMILES CC(=C)c1cc(nc(n1)N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H25F3N4O2/c1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-15H,1,9-12H2,2-3H3,(H,30,34)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM81120
PNG
(US10245267, Example 413 | US10709712, Example 413 ...)
Show SMILES Cn1cc(cc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C23H20ClF3N4O3/c1-30-13-15(10-19(22(30)33)31-6-8-34-9-7-31)17-12-16(2-3-18(17)24)29-21(32)14-4-5-28-20(11-14)23(25,26)27/h2-5,10-13H,6-9H2,1H3,(H,29,32)
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NOVARTIS AG

US Patent


Assay Description
C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 deletion mutant.C-Raf FL refers to the full-length C-Raf protein.Full length MEK1 with an...


US Patent US10709712 (2020)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202697
PNG
(US10245267, Example 42 | US10709712, Example 43 | ...)
Show SMILES CC(=C)c1cc(nc(n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C)N1CCOCC1
Show InChI InChI=1S/C26H25F3N4O2/c1-16(2)22-15-23(33-9-11-35-12-10-33)32-24(31-22)21-14-20(8-7-17(21)3)30-25(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-15H,1,9-12H2,2-3H3,(H,30,34)
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Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM81120
PNG
(US10245267, Example 413 | US10709712, Example 413 ...)
Show SMILES Cn1cc(cc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C23H20ClF3N4O3/c1-30-13-15(10-19(22(30)33)31-6-8-34-9-7-31)17-12-16(2-3-18(17)24)29-21(32)14-4-5-28-20(11-14)23(25,26)27/h2-5,10-13H,6-9H2,1H3,(H,29,32)
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Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM88121
PNG
(US10245267, Example 1157 | US10709712, Example 115...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C2CC2)cc1-c1cc(OCCO)nc(c1)N1CCOCC1
Show InChI InChI=1S/C27H30N4O4/c1-18-2-5-22(29-27(33)20-6-7-28-24(14-20)19-3-4-19)17-23(18)21-15-25(31-8-11-34-12-9-31)30-26(16-21)35-13-10-32/h2,5-7,14-17,19,32H,3-4,8-13H2,1H3,(H,29,33)
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n/an/a 0.0900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM77771
PNG
(US10245267, Example 231 | US10709712, Example 231 ...)
Show SMILES CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)F)ccc1C
Show InChI InChI=1S/C26H27F2N3O3/c1-3-34-26-23(31-9-11-33-12-10-31)14-20(16-29-26)22-15-21(8-7-17(22)2)30-25(32)19-6-4-5-18(13-19)24(27)28/h4-8,13-16,24H,3,9-12H2,1-2H3,(H,30,32)
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n/an/a 0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202673
PNG
(US10245267, Example 18 | US10709712, Example 18 | ...)
Show SMILES CN(C)c1cncc(c1)C(=O)Nc1ccc(C)c(c1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C27H33N7O3/c1-19-4-5-21(29-26(35)20-14-22(32(2)3)18-28-17-20)15-23(19)24-16-25(33-6-10-36-11-7-33)31-27(30-24)34-8-12-37-13-9-34/h4-5,14-18H,6-13H2,1-3H3,(H,29,35)
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n/an/a 0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202682
PNG
(US10245267, Example 38 | US10709712, Example 38 | ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(n1)S(C)(=O)=O)N1CCOCC1
Show InChI InChI=1S/C24H23F3N4O4S/c1-15-6-7-18(28-22(32)16-4-3-5-17(12-16)24(25,26)27)13-19(15)20-14-21(31-8-10-35-11-9-31)30-23(29-20)36(2,33)34/h3-7,12-14H,8-11H2,1-2H3,(H,28,32)
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n/an/a 0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM202830
PNG
(US10245267, Example 177 | US10709712, Example 177 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
Show InChI InChI=1S/C26H27F2N3O3/c1-17-7-8-21(29-24(32)18-5-4-6-20(13-18)26(2,27)28)15-22(17)19-14-23(25(33)30(3)16-19)31-9-11-34-12-10-31/h4-8,13-16H,9-12H2,1-3H3,(H,29,32)
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n/an/a 0.100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Raf and biotinylated Mek, kinase dead, were combined at 2 final concentrations in assay buffer (50 mM Tris, pH 7.5, 15 mM MgCl2, 0.01% BSA and 1 mM ...


US Patent US10245267 (2019)


BindingDB Entry DOI: 10.7270/Q2RB76WP
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50201030
PNG
(CHEMBL3929689)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCOP(O)(O)=O)nc(c1)N1CCOCC1
Show InChI InChI=1S/C25H26F3N4O7P/c1-16-2-3-19(30-24(33)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-8-37-9-7-32)31-23(14-18)38-10-11-39-40(34,35)36/h2-5,12-15H,6-11H2,1H3,(H,30,33)(H2,34,35,36)
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n/an/a 0.100n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in baculovirus infected Sf9 insect cells using full length biotinylated ME...


ACS Med Chem Lett 7: 1022-1023 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00435
BindingDB Entry DOI: 10.7270/Q27S7QRX
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50201034
PNG
(CHEMBL3952506)
Show SMILES C[C@@H]1COCCN1c1cc(cc(OCCOP(O)(O)=O)n1)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C
Show InChI InChI=1S/C27H31F2N4O7P/c1-17-4-5-21(31-26(34)19-6-7-30-23(12-19)27(3,28)29)15-22(17)20-13-24(33-8-9-38-16-18(33)2)32-25(14-20)39-10-11-40-41(35,36)37/h4-7,12-15,18H,8-11,16H2,1-3H3,(H,31,34)(H2,35,36,37)/t18-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in baculovirus infected Sf9 insect cells using full length biotinylated ME...


ACS Med Chem Lett 7: 1022-1023 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00435
BindingDB Entry DOI: 10.7270/Q27S7QRX
More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM484031
PNG
(N-[3-[7-ethynyl-2- (methylamino)pyrido[2,3-d]pyrim...)
Show SMILES CNc1ncc2cc(c(nc2n1)C#N)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C23H16F3N7O/c1-12-3-4-15(31-21(34)13-5-6-29-19(8-13)23(24,25)26)9-16(12)17-7-14-11-30-22(28-2)33-20(14)32-18(17)10-27/h3-9,11H,1-2H3,(H,31,34)(H,28,30,32,33)
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n/an/a<0.100n/an/an/an/an/an/a



KINNATE BIOPHARMA INC.

US Patent


Assay Description
Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief...


US Patent US10927111 (2021)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM484032
PNG
(N-[3-[7-methoxy-2- (methylamino)pyrido[2,3-d]pyrim...)
Show SMILES CNc1ncc2cc(c(OC)nc2n1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C23H19F3N6O2/c1-12-4-5-15(30-20(33)13-6-7-28-18(9-13)23(24,25)26)10-16(12)17-8-14-11-29-22(27-2)32-19(14)31-21(17)34-3/h4-11H,1-3H3,(H,30,33)(H,27,29,31,32)
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n/an/a<0.100n/an/an/an/an/an/a



KINNATE BIOPHARMA INC.

US Patent


Assay Description
Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief...


US Patent US10927111 (2021)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM484033
PNG
(N-[3-[7-ethoxy-2- (methylamino)pyrido[2,3-d]pyrimi...)
Show SMILES CCOc1nc2nc(NC)ncc2cc1-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H21F3N6O2/c1-4-35-22-18(9-15-12-30-23(28-3)33-20(15)32-22)17-11-16(6-5-13(17)2)31-21(34)14-7-8-29-19(10-14)24(25,26)27/h5-12H,4H2,1-3H3,(H,31,34)(H,28,30,32,33)
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n/an/a<0.100n/an/an/an/an/an/a



KINNATE BIOPHARMA INC.

US Patent


Assay Description
Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief...


US Patent US10927111 (2021)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM484034
PNG
(N-[3-[7-(2-hydroxyethoxy)-2- (methylamino)pyrido[2...)
Show SMILES CNc1ncc2cc(c(OCCO)nc2n1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H21F3N6O3/c1-13-3-4-16(31-21(35)14-5-6-29-19(10-14)24(25,26)27)11-17(13)18-9-15-12-30-23(28-2)33-20(15)32-22(18)36-8-7-34/h3-6,9-12,34H,7-8H2,1-2H3,(H,31,35)(H,28,30,32,33)
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n/an/a<0.100n/an/an/an/an/an/a



KINNATE BIOPHARMA INC.

US Patent


Assay Description
Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief...


US Patent US10927111 (2021)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM484032
PNG
(N-[3-[7-methoxy-2- (methylamino)pyrido[2,3-d]pyrim...)
Show SMILES CNc1ncc2cc(c(OC)nc2n1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C23H19F3N6O2/c1-12-4-5-15(30-20(33)13-6-7-28-18(9-13)23(24,25)26)10-16(12)17-8-14-11-29-22(27-2)32-19(14)31-21(17)34-3/h4-11H,1-3H3,(H,30,33)(H,27,29,31,32)
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n/an/a<0.100n/an/an/an/an/an/a



KINNATE BIOPHARMA INC.

US Patent


Assay Description
Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief...


US Patent US10927111 (2021)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM484031
PNG
(N-[3-[7-ethynyl-2- (methylamino)pyrido[2,3-d]pyrim...)
Show SMILES CNc1ncc2cc(c(nc2n1)C#N)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C23H16F3N7O/c1-12-3-4-15(31-21(34)13-5-6-29-19(8-13)23(24,25)26)9-16(12)17-7-14-11-30-22(28-2)33-20(14)32-18(17)10-27/h3-9,11H,1-2H3,(H,31,34)(H,28,30,32,33)
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n/an/a<0.100n/an/an/an/an/an/a



KINNATE BIOPHARMA INC.

US Patent


Assay Description
Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief...


US Patent US10927111 (2021)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM484037
PNG
(N-[4-methyl-3-[2-(methylamino)-7- (trifluoromethyl...)
Show SMILES CNc1ncc2cc(-c3cc(NC(=O)c4ccnc(c4)C(F)(F)F)ccc3C)c(nc2n1)C(F)(F)F
Show InChI InChI=1S/C23H16F6N6O/c1-11-3-4-14(33-20(36)12-5-6-31-17(8-12)22(24,25)26)9-15(11)16-7-13-10-32-21(30-2)35-19(13)34-18(16)23(27,28)29/h3-10H,1-2H3,(H,33,36)(H,30,32,34,35)
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n/an/a<0.100n/an/an/an/an/an/a



KINNATE BIOPHARMA INC.

US Patent


Assay Description
Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief...


US Patent US10927111 (2021)

More data for this
Ligand-Target Pair
BRAF/CRAF


(Homo sapiens (Human))
BDBM483970
PNG
(N-[4-methyl-3-[7-methyl-2- (methylamino)pyrido[2,3...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C23H19F3N6O/c1-12-4-5-16(31-21(33)14-6-7-28-19(9-14)23(24,25)26)10-17(12)18-8-15-11-29-22(27-3)32-20(15)30-13(18)2/h4-11H,1-3H3,(H,31,33)(H,27,29,30,32)
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n/an/a<0.100n/an/an/an/an/an/a



KINNATE BIOPHARMA INC.

US Patent


Assay Description
Protein kinase assay: Assay platform was used to measure kinase/inhibitor interactions as described previously (Anastassiadis et al., 2011). In brief...


US Patent US10927111 (2021)

More data for this
Ligand-Target Pair
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