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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 515.5
BDBM200451
Wt: 532.9
BDBM200375
Wt: 530.9
BDBM200384
Wt: 532.9
BDBM200389
Wt: 528.5
BDBM200391
Wt: 531.9
BDBM200402
Wt: 527.5
BDBM200410
Wt: 537.9
BDBM200428
Wt: 507.9
BDBM200429
Wt: 531.9
BDBM200435
Wt: 529.5
BDBM200441
Wt: 540.5
BDBM200448
Wt: 526.5
BDBM200449
Wt: 529.5
BDBM200450
Wt: 539.6
BDBM323152
Displayed 1 to 15 (of 100 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 29 hits in this display   
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
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200441
PNG
(US9227969, 70 | US9629836, 70)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1F
Show InChI InChI=1S/C28H25F2N7O2/c1-15-5-8-32-28(34-15)39-18-3-4-19(22(29)11-18)20-12-21-24(13-23(20)30)33-14-25-26(21)37(16(2)35-25)17-6-9-36(10-7-17)27(31)38/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,31,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200441
PNG
(US9227969, 70 | US9629836, 70)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1F
Show InChI InChI=1S/C28H25F2N7O2/c1-15-5-8-32-28(34-15)39-18-3-4-19(22(29)11-18)20-12-21-24(13-23(20)30)33-14-25-26(21)37(16(2)35-25)17-6-9-36(10-7-17)27(31)38/h3-5,8,11-14,17H,6-7,9-10H2,1-2H3,(H2,31,38)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200410
PNG
(US9227969, 38 | US9629836, 38)
Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O
Show InChI InChI=1S/C28H26FN7O3/c1-28(6-10-35(11-7-28)26(30)37)36-16-34-23-15-33-22-14-21(29)19(13-20(22)25(23)36)18-5-4-17(12-24(18)38-2)39-27-31-8-3-9-32-27/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H2,30,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200410
PNG
(US9227969, 38 | US9629836, 38)
Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O
Show InChI InChI=1S/C28H26FN7O3/c1-28(6-10-35(11-7-28)26(30)37)36-16-34-23-15-33-22-14-21(29)19(13-20(22)25(23)36)18-5-4-17(12-24(18)38-2)39-27-31-8-3-9-32-27/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H2,30,37)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200435
PNG
(US9227969, 64 | US9629836, 64)
Show SMILES CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C27H23ClFN7O2/c1-27(5-9-35(10-6-27)25(30)37)36-15-34-23-14-33-22-13-21(29)18(12-19(22)24(23)36)17-4-3-16(11-20(17)28)38-26-31-7-2-8-32-26/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H2,30,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200435
PNG
(US9227969, 64 | US9629836, 64)
Show SMILES CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C27H23ClFN7O2/c1-27(5-9-35(10-6-27)25(30)37)36-15-34-23-14-33-22-13-21(29)18(12-19(22)24(23)36)17-4-3-16(11-20(17)28)38-26-31-7-2-8-32-26/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H2,30,37)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200450
PNG
(US9227969, 79 | US9629836, 79)
Show SMILES Cc1ccnc(Oc2ccc(c(F)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1
Show InChI InChI=1S/C28H25F2N7O2/c1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.20n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200450
PNG
(US9227969, 79 | US9629836, 79)
Show SMILES Cc1ccnc(Oc2ccc(c(F)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1
Show InChI InChI=1S/C28H25F2N7O2/c1-16-5-8-32-27(35-16)39-17-3-4-18(21(29)11-17)19-12-20-23(13-22(19)30)33-14-24-25(20)37(15-34-24)28(2)6-9-36(10-7-28)26(31)38/h3-5,8,11-15H,6-7,9-10H2,1-2H3,(H2,31,38)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.20n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200402
PNG
(US9227969, 30 | US9629836, 30)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C27H23ClFN7O2/c1-15-34-24-14-33-23-13-22(29)19(18-4-3-17(11-21(18)28)38-27-31-7-2-8-32-27)12-20(23)25(24)36(15)16-5-9-35(10-6-16)26(30)37/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3,(H2,30,37)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200402
PNG
(US9227969, 30 | US9629836, 30)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C27H23ClFN7O2/c1-15-34-24-14-33-23-13-22(29)19(18-4-3-17(11-21(18)28)38-27-31-7-2-8-32-27)12-20(23)25(24)36(15)16-5-9-35(10-6-16)26(30)37/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3,(H2,30,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200451
PNG
(US9227969, 80 | US9629836, 80)
Show SMILES CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1F
Show InChI InChI=1S/C27H23F2N7O2/c1-27(5-9-35(10-6-27)25(30)37)36-15-34-23-14-33-22-13-21(29)18(12-19(22)24(23)36)17-4-3-16(11-20(17)28)38-26-31-7-2-8-32-26/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H2,30,37)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200451
PNG
(US9227969, 80 | US9629836, 80)
Show SMILES CC1(CCN(CC1)C(N)=O)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1F
Show InChI InChI=1S/C27H23F2N7O2/c1-27(5-9-35(10-6-27)25(30)37)36-15-34-23-14-33-22-13-21(29)18(12-19(22)24(23)36)17-4-3-16(11-20(17)28)38-26-31-7-2-8-32-26/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H2,30,37)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM323152
PNG
(US9629836, 76)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1(C)CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1C
Show InChI InChI=1S/C30H30FN7O2/c1-17-13-20(40-29-33-10-7-18(2)35-29)5-6-21(17)22-14-23-25(15-24(22)31)34-16-26-27(23)38(19(3)36-26)30(4)8-11-37(12-9-30)28(32)39/h5-7,10,13-16H,8-9,11-12H2,1-4H3,(H2,32,39)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200428
PNG
(US9227969, 55 | US9629836, 55)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCS(=O)(=O)CC1)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C26H21ClFN5O3S/c1-15-32-24-14-31-23-13-22(28)19(12-20(23)25(24)33(15)16-5-9-37(34,35)10-6-16)18-4-3-17(11-21(18)27)36-26-29-7-2-8-30-26/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 47n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200428
PNG
(US9227969, 55 | US9629836, 55)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCS(=O)(=O)CC1)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C26H21ClFN5O3S/c1-15-32-24-14-31-23-13-22(28)19(12-20(23)25(24)33(15)16-5-9-37(34,35)10-6-16)18-4-3-17(11-21(18)27)36-26-29-7-2-8-30-26/h2-4,7-8,11-14,16H,5-6,9-10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 47n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200448
PNG
(US9227969, 77 | US9629836, 77)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1C
Show InChI InChI=1S/C30H29FN6O3/c1-17-12-21(40-30-32-9-6-18(2)34-30)4-5-22(17)23-13-24-26(14-25(23)31)33-15-27-29(24)37(19(3)35-27)20-7-10-36(11-8-20)28(39)16-38/h4-6,9,12-15,20,38H,7-8,10-11,16H2,1-3H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200448
PNG
(US9227969, 77 | US9629836, 77)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1C
Show InChI InChI=1S/C30H29FN6O3/c1-17-12-21(40-30-32-9-6-18(2)34-30)4-5-22(17)23-13-24-26(14-25(23)31)33-15-27-29(24)37(19(3)35-27)20-7-10-36(11-8-20)28(39)16-38/h4-6,9,12-15,20,38H,7-8,10-11,16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200389
PNG
(US9227969, 17 | US9629836, 17)
Show SMILES CC1(CCN(CCO)CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C28H26ClFN6O2/c1-28(5-9-35(10-6-28)11-12-37)36-17-34-25-16-33-24-15-23(30)20(14-21(24)26(25)36)19-4-3-18(13-22(19)29)38-27-31-7-2-8-32-27/h2-4,7-8,13-17,37H,5-6,9-12H2,1H3
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 93n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200389
PNG
(US9227969, 17 | US9629836, 17)
Show SMILES CC1(CCN(CCO)CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C28H26ClFN6O2/c1-28(5-9-35(10-6-28)11-12-37)36-17-34-25-16-33-24-15-23(30)20(14-21(24)26(25)36)19-4-3-18(13-22(19)29)38-27-31-7-2-8-32-27/h2-4,7-8,13-17,37H,5-6,9-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 93n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200375
PNG
(US9227969, 3 | US9629836, 3)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CCO)CC1)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C28H26ClFN6O2/c1-17-34-26-16-33-25-15-24(30)21(20-4-3-19(13-23(20)29)38-28-31-7-2-8-32-28)14-22(25)27(26)36(17)18-5-9-35(10-6-18)11-12-37/h2-4,7-8,13-16,18,37H,5-6,9-12H2,1H3
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n/an/a 104n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200375
PNG
(US9227969, 3 | US9629836, 3)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CCO)CC1)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C28H26ClFN6O2/c1-17-34-26-16-33-25-15-24(30)21(20-4-3-19(13-23(20)29)38-28-31-7-2-8-32-28)14-22(25)27(26)36(17)18-5-9-35(10-6-18)11-12-37/h2-4,7-8,13-16,18,37H,5-6,9-12H2,1H3
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UniChem
US Patent
n/an/a 104n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200449
PNG
(US9227969, 78 | US9629836, 78)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1
Show InChI InChI=1S/C29H27FN6O3/c1-17-7-10-31-29(33-17)39-21-5-3-19(4-6-21)22-13-23-25(14-24(22)30)32-15-26-28(23)36(18(2)34-26)20-8-11-35(12-9-20)27(38)16-37/h3-7,10,13-15,20,37H,8-9,11-12,16H2,1-2H3
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n/an/a 179n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200449
PNG
(US9227969, 78 | US9629836, 78)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1
Show InChI InChI=1S/C29H27FN6O3/c1-17-7-10-31-29(33-17)39-21-5-3-19(4-6-21)22-13-23-25(14-24(22)30)32-15-26-28(23)36(18(2)34-26)20-8-11-35(12-9-20)27(38)16-37/h3-7,10,13-15,20,37H,8-9,11-12,16H2,1-2H3
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 179n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200384
PNG
(US9227969, 12 | US9629836, 12)
Show SMILES CC(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C28H24ClFN6O2/c1-16-34-26-15-33-25-14-24(30)21(20-5-4-19(12-23(20)29)38-28-31-8-3-9-32-28)13-22(25)27(26)36(16)18-6-10-35(11-7-18)17(2)37/h3-5,8-9,12-15,18H,6-7,10-11H2,1-2H3
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UniChem
US Patent
n/an/a 212n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200384
PNG
(US9227969, 12 | US9629836, 12)
Show SMILES CC(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C28H24ClFN6O2/c1-16-34-26-15-33-25-14-24(30)21(20-5-4-19(12-23(20)29)38-28-31-8-3-9-32-28)13-22(25)27(26)36(16)18-6-10-35(11-7-18)17(2)37/h3-5,8-9,12-15,18H,6-7,10-11H2,1-2H3
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n/an/a 212n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200429
PNG
(US9227969, 56 | US9629836, 56)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCOCC1F)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C26H20ClF2N5O2/c1-14-33-23-12-32-22-11-20(28)17(10-18(22)25(23)34(14)24-5-8-35-13-21(24)29)16-4-3-15(9-19(16)27)36-26-30-6-2-7-31-26/h2-4,6-7,9-12,21,24H,5,8,13H2,1H3
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n/an/a 280n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200429
PNG
(US9227969, 56 | US9629836, 56)
Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCOCC1F)-c1ccc(Oc2ncccn2)cc1Cl
Show InChI InChI=1S/C26H20ClF2N5O2/c1-14-33-23-12-32-22-11-20(28)17(10-18(22)25(23)34(14)24-5-8-35-13-21(24)29)16-4-3-15(9-19(16)27)36-26-30-6-2-7-31-26/h2-4,6-7,9-12,21,24H,5,8,13H2,1H3
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n/an/a 280n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
BRAF-MEK-ERK


(Homo sapiens (Human))
BDBM200391
PNG
(US9227969, 19 | US9629836, 19)
Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CCO)CC1
Show InChI InChI=1S/C29H29FN6O3/c1-29(6-10-35(11-7-29)12-13-37)36-18-34-25-17-33-24-16-23(30)21(15-22(24)27(25)36)20-5-4-19(14-26(20)38-2)39-28-31-8-3-9-32-28/h3-5,8-9,14-18,37H,6-7,10-13H2,1-2H3
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n/an/a 333n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...


US Patent US9227969 (2016)


BindingDB Entry DOI: 10.7270/Q2W094RM
More data for this
Ligand-Target Pair
MEK1 (K97R)


(Homo sapiens (Human))
BDBM200391
PNG
(US9227969, 19 | US9629836, 19)
Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CCO)CC1
Show InChI InChI=1S/C29H29FN6O3/c1-29(6-10-35(11-7-29)12-13-37)36-18-34-25-17-33-24-16-23(30)21(15-22(24)27(25)36)20-5-4-19(14-26(20)38-2)39-28-31-8-3-9-32-28/h3-5,8-9,14-18,37H,6-7,10-13H2,1-2H3
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PC sid
UniChem
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n/an/a 333n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...


US Patent US9629836 (2017)

More data for this
Ligand-Target Pair