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Compile Data Set for Download or QSAR

Found 4567 hits of ic50 for UniProtKB: P04049   
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
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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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



Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


BindingDB Entry DOI: 10.7270/Q2RB76WP
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



Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


BindingDB Entry DOI: 10.7270/Q2RB76WP
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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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



Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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 0.0600n/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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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 0.0600n/an/an/an/an/an/a



Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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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n/an/a 0.0650n/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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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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n/an/a 0.0700n/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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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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n/an/a 0.0800n/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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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
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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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)


BindingDB Entry DOI: 10.7270/Q2280BP3
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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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


BindingDB Entry DOI: 10.7270/Q2RB76WP
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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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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)


BindingDB Entry DOI: 10.7270/Q2280BP3
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM81177
PNG
(US10245267, Example 476 | US10709712, Example 476 ...)
Show SMILES CCc1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)n(C)c(=O)c1
Show InChI InChI=1S/C25H28N4O3/c1-4-20-13-18(7-8-26-20)25(31)27-21-6-5-17(2)22(16-21)19-14-23(28(3)24(30)15-19)29-9-11-32-12-10-29/h5-8,13-16H,4,9-12H2,1-3H3,(H,27,31)
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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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


(Homo sapiens (Human))
BDBM81181
PNG
(US10245267, Example 480 | US10709712, Example 480 ...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C2(CC2)C#N)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
Show InChI InChI=1S/C27H27N5O3/c1-18-3-4-21(30-26(34)19-5-8-29-23(13-19)27(17-28)6-7-27)16-22(18)20-14-24(31(2)25(33)15-20)32-9-11-35-12-10-32/h3-5,8,13-16H,6-7,9-12H2,1-2H3,(H,30,34)
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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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


(Homo sapiens (Human))
BDBM81185
PNG
(US10245267, Example 484 | US10709712, Example 484 ...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
Show InChI InChI=1S/C25H25F2N3O3/c1-16-6-7-20(28-25(32)18-5-3-4-17(12-18)24(26)27)15-21(16)19-13-22(29(2)23(31)14-19)30-8-10-33-11-9-30/h3-7,12-15,24H,8-11H2,1-2H3,(H,28,32)
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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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


(Homo sapiens (Human))
BDBM81235
PNG
(US10245267, Example 519 | US10709712, Example 519 ...)
Show SMILES CCn1c(cc(cc1=O)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C)N1CCOCC1
Show InChI InChI=1S/C26H28F2N4O3/c1-4-32-23(31-9-11-35-12-10-31)14-19(15-24(32)33)21-16-20(6-5-17(21)2)30-25(34)18-7-8-29-22(13-18)26(3,27)28/h5-8,13-16H,4,9-12H2,1-3H3,(H,30,34)
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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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


(Homo sapiens (Human))
BDBM84273
PNG
(US10245267, Example 561 | US10709712, Example 561 ...)
Show SMILES CCOc1nnc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)F)ccc1C
Show InChI InChI=1S/C25H26F2N4O3/c1-3-34-25-22(31-9-11-33-12-10-31)15-21(29-30-25)20-14-19(8-7-16(20)2)28-24(32)18-6-4-5-17(13-18)23(26)27/h4-8,13-15,23H,3,9-12H2,1-2H3,(H,28,32)
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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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


(Homo sapiens (Human))
BDBM77866
PNG
(US10245267, Example 307 | US10709712, Example 307 ...)
Show SMILES CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
Show InChI InChI=1S/C25H26F3N5O2/c1-16-21(18-12-22(23(30-14-18)32(2)3)33-7-9-35-10-8-33)13-20(15-29-16)31-24(34)17-5-4-6-19(11-17)25(26,27)28/h4-6,11-15H,7-10H2,1-3H3,(H,31,34)
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Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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 |r|
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
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



Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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



Bristol-Myers Squibb Company



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 ...


Bioorg Med Chem Lett 17: 5115-20 (2007)


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


(Homo sapiens (Human))
BDBM483965
PNG
((S)-N-(2-fluoro-4-methyl-5-(7-methyl- 2-(methylami...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CC[C@@H](C2)C(F)(F)F)c(F)cc1C |r|
Show InChI InChI=1S/C22H22F4N6O/c1-11-6-17(23)18(30-21(33)32-5-4-14(10-32)22(24,25)26)8-15(11)16-7-13-9-28-20(27-3)31-19(13)29-12(16)2/h6-9,14H,4-5,10H2,1-3H3,(H,30,33)(H,27,28,29,31)/t14-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483966
PNG
((R)-N-(2-fluoro-4-methyl-5-(7-methyl- 2-(methylami...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CC[C@H](C2)C(F)(F)F)c(F)cc1C |r|
Show InChI InChI=1S/C22H22F4N6O/c1-11-6-17(23)18(30-21(33)32-5-4-14(10-32)22(24,25)26)8-15(11)16-7-13-9-28-20(27-3)31-19(13)29-12(16)2/h6-9,14H,4-5,10H2,1-3H3,(H,30,33)(H,27,28,29,31)/t14-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483967
PNG
(N-(2-fluoro-4-methyl-5-(7-methyl-2- (methylamino)p...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CC=C(C2)C(F)(F)F)c(F)cc1C |c:23|
Show InChI InChI=1S/C22H20F4N6O/c1-11-6-17(23)18(30-21(33)32-5-4-14(10-32)22(24,25)26)8-15(11)16-7-13-9-28-20(27-3)31-19(13)29-12(16)2/h4,6-9H,5,10H2,1-3H3,(H,30,33)(H,27,28,29,31)
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483971
PNG
(N-[2-fluoro-4-methyl-5-[7-methyl-2- (methylamino)p...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)c(F)cc1C
Show InChI InChI=1S/C23H18F4N6O/c1-11-6-17(24)18(32-21(34)13-4-5-29-19(8-13)23(25,26)27)9-15(11)16-7-14-10-30-22(28-3)33-20(14)31-12(16)2/h4-10H,1-3H3,(H,32,34)(H,28,30,31,33)
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483972
PNG
(US10927111, Example 8 | US10927111, Example 9 | US...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CC[C@H](C2)OC(F)(F)F)ccc1C |r|
Show InChI InChI=1S/C22H23F3N6O2/c1-12-4-5-15(29-21(32)31-7-6-16(11-31)33-22(23,24)25)9-17(12)18-8-14-10-27-20(26-3)30-19(14)28-13(18)2/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,29,32)(H,26,27,28,30)/t16-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483972
PNG
(US10927111, Example 8 | US10927111, Example 9 | US...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CC[C@H](C2)OC(F)(F)F)ccc1C |r|
Show InChI InChI=1S/C22H23F3N6O2/c1-12-4-5-15(29-21(32)31-7-6-16(11-31)33-22(23,24)25)9-17(12)18-8-14-10-27-20(26-3)30-19(14)28-13(18)2/h4-5,8-10,16H,6-7,11H2,1-3H3,(H,29,32)(H,26,27,28,30)/t16-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483974
PNG
((2R)-N-[2-fluoro-4-methyl-5-[7- methyl-2-(methylam...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CCO[C@H](C2)C(F)(F)F)c(F)cc1C |r|
Show InChI InChI=1S/C22H22F4N6O2/c1-11-6-16(23)17(30-21(33)32-4-5-34-18(10-32)22(24,25)26)8-14(11)15-7-13-9-28-20(27-3)31-19(13)29-12(15)2/h6-9,18H,4-5,10H2,1-3H3,(H,30,33)(H,27,28,29,31)/t18-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483975
PNG
((2S)-N-[2-fluoro-4-methyl-5-[7- methyl-2-(methylam...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CCO[C@@H](C2)C(F)(F)F)c(F)cc1C |r|
Show InChI InChI=1S/C22H22F4N6O2/c1-11-6-16(23)17(30-21(33)32-4-5-34-18(10-32)22(24,25)26)8-14(11)15-7-13-9-28-20(27-3)31-19(13)29-12(15)2/h6-9,18H,4-5,10H2,1-3H3,(H,30,33)(H,27,28,29,31)/t18-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483976
PNG
((2R)-N-[4-methyl-3-[7-methyl-2- (methylamino)pyrid...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CCO[C@H](C2)C(F)(F)F)ccc1C |r|
Show InChI InChI=1S/C22H23F3N6O2/c1-12-4-5-15(29-21(32)31-6-7-33-18(11-31)22(23,24)25)9-16(12)17-8-14-10-27-20(26-3)30-19(14)28-13(17)2/h4-5,8-10,18H,6-7,11H2,1-3H3,(H,29,32)(H,26,27,28,30)/t18-/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483977
PNG
((2S)-N-methyl-3-[7-methyl-2- (methylamino)pyrido[2...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CCO[C@@H](C2)C(F)(F)F)ccc1C |r|
Show InChI InChI=1S/C22H23F3N6O2/c1-12-4-5-15(29-21(32)31-6-7-33-18(11-31)22(23,24)25)9-16(12)17-8-14-10-27-20(26-3)30-19(14)28-13(17)2/h4-5,8-10,18H,6-7,11H2,1-3H3,(H,29,32)(H,26,27,28,30)/t18-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM483978
PNG
(N-(4-methyl-3-(7-methyl-2- (methylamino)pyrido[2,3...)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)N2CCC(C2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C22H23F3N6O/c1-12-4-5-16(29-21(32)31-7-6-15(11-31)22(23,24)25)9-17(12)18-8-14-10-27-20(26-3)30-19(14)28-13(18)2/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,29,32)(H,26,27,28,30)
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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)


BindingDB Entry DOI: 10.7270/Q2NK3J4X
More data for this
Ligand-Target Pair
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