Found 101 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200424
(US10011599, Example 51 | US9227969, 51 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(n2)C(F)(F)F)cc1Cl |r| Show InChI InChI=1S/C29H22ClF5N6O3/c1-14-38-23-11-37-22-10-20(31)17(9-18(22)27(23)41(14)24-5-7-40(12-21(24)32)26(43)13-42)16-3-2-15(8-19(16)30)44-28-36-6-4-25(39-28)29(33,34)35/h2-4,6,8-11,21,24,42H,5,7,12-13H2,1H3/t21-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200427
(US10011599, Example 54 | US9227969, 54 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(n2)C2CC2)cc1Cl Show InChI InChI=1S/C31H28ClFN6O3/c1-17-36-28-15-35-27-14-25(33)22(13-23(27)30(28)39(17)19-7-10-38(11-8-19)29(41)16-40)21-5-4-20(12-24(21)32)42-31-34-9-6-26(37-31)18-2-3-18/h4-6,9,12-15,18-19,40H,2-3,7-8,10-11,16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200420
(US10011599, Example 47 | US9227969, 47 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(F)n2)cc1Cl Show InChI InChI=1S/C29H24ClF2N5O3/c1-16-34-25-14-33-24-13-23(31)20(19-6-5-18(11-22(19)30)40-27-4-2-3-26(32)35-27)12-21(24)29(25)37(16)17-7-9-36(10-8-17)28(39)15-38/h2-6,11-14,17,38H,7-10,15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200417
(US9227969, 44 | US9629836, 44)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccc(CO)n2)cc1Cl Show InChI InChI=1S/C30H27ClFN5O4/c1-17-34-27-14-33-26-13-25(32)22(12-23(26)30(27)37(17)19-7-9-36(10-8-19)29(40)16-39)21-6-5-20(11-24(21)31)41-28-4-2-3-18(15-38)35-28/h2-6,11-14,19,38-39H,7-10,15-16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200436
(US10011599, Example 65 | US9227969, 65 | US9629836...)Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)n1 Show InChI InChI=1S/C28H25ClFN7O2/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
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200460
(US10011599, Example 89 | US9227969, 89 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O4/c1-15-35-25-11-34-24-10-22(31)19(18-3-2-17(8-21(18)30)42-29-33-6-4-16(13-39)36-29)9-20(24)28(25)38(15)26-5-7-37(12-23(26)32)27(41)14-40/h2-4,6,8-11,23,26,39-40H,5,7,12-14H2,1H3/t23-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200461
(US10011599, Example 90 | US9227969, 90 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1C |r| Show InChI InChI=1S/C29H26F2N6O3/c1-16-10-18(40-29-32-7-3-8-33-29)4-5-19(16)20-11-21-24(12-22(20)30)34-13-25-28(21)37(17(2)35-25)26-6-9-36(14-23(26)31)27(39)15-38/h3-5,7-8,10-13,23,26,38H,6,9,14-15H2,1-2H3/t23-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200465
(US10011599, Example 94 | US9227969, 94 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(N)=O)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C27H22ClF2N7O2/c1-14-35-23-12-34-22-11-20(29)17(16-4-3-15(9-19(16)28)39-27-32-6-2-7-33-27)10-18(22)25(23)37(14)24-5-8-36(26(31)38)13-21(24)30/h2-4,6-7,9-12,21,24H,5,8,13H2,1H3,(H2,31,38)/t21-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200409
(US10011599, Example 37 | US9227969, 37 | US9629836...)Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(N)=O Show InChI InChI=1S/C29H28FN7O3/c1-17-6-9-32-28(35-17)40-18-4-5-19(25(12-18)39-3)20-13-21-23(14-22(20)30)33-15-24-26(21)37(16-34-24)29(2)7-10-36(11-8-29)27(31)38/h4-6,9,12-16H,7-8,10-11H2,1-3H3,(H2,31,38) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200430
(US9227969, 58)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)C[C@@H]1F)-c1ccc(Oc2nccc(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H24ClF2N7O/c1-16-5-8-34-29(36-16)40-18-3-4-19(22(30)11-18)20-12-21-25(13-23(20)31)35-14-26-28(21)39(17(2)37-26)27-6-9-38(10-7-33)15-24(27)32/h3-5,8,11-14,24,27H,6,9-10,15H2,1-2H3/t24-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200403
(US10011599, Example 31 | US9227969, 31 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C28H25ClFN7O2/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
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200444
(US10011599, Example 73 | US9227969, 73 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cccn(C)c2=O)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-16-34-25-15-33-24-14-23(31)20(13-21(24)27(25)37(16)17-7-10-36(11-8-17)29(32)39)19-6-5-18(12-22(19)30)40-26-4-3-9-35(2)28(26)38/h3-6,9,12-15,17H,7-8,10-11H2,1-2H3,(H2,32,39) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200433
(US9227969, 62)Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC#N)C[C@@H]4F)c(C)nc3cnc2cc1F |r| Show InChI InChI=1S/C29H25F2N7O2/c1-17-36-25-15-35-24-14-22(30)20(19-5-4-18(12-27(19)39-2)40-29-33-8-3-9-34-29)13-21(24)28(25)38(17)26-6-10-37(11-7-32)16-23(26)31/h3-5,8-9,12-15,23,26H,6,10-11,16H2,1-2H3/t23-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200400
(US10011599, Example 28 | US9227969, 28 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-16-5-8-32-29(34-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)33-14-26-28(22)37(17(2)35-26)18-6-9-36(10-7-18)27(39)15-38/h3-5,8,11-14,18,38H,6-7,9-10,15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200446
(US10011599, Example 75 | US9227969, 75 | US9629836...)Show SMILES Cn1cccc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(N)=O)c1=O Show InChI InChI=1S/C29H26ClFN6O3/c1-29(7-10-36(11-8-29)28(32)39)37-16-34-24-15-33-23-14-22(31)19(13-20(23)26(24)37)18-6-5-17(12-21(18)30)40-25-4-3-9-35(2)27(25)38/h3-6,9,12-16H,7-8,10-11H2,1-2H3,(H2,32,39) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200398
(US10011599, Example 26 | US9227969, 26 | US9629836...)Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1 Show InChI InChI=1S/C29H26ClFN6O3/c1-17-5-8-32-28(35-17)40-18-3-4-19(22(30)11-18)20-12-21-24(13-23(20)31)33-14-25-27(21)37(16-34-25)29(2)6-9-36(10-7-29)26(39)15-38/h3-5,8,11-14,16,38H,6-7,9-10,15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200441
(US10011599, Example 70 | US9227969, 70 | US9629836...)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
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200453
(US10011599, Example 82 | US9227969, 82)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccn(C)c2=O)cc1Cl Show InChI InChI=1S/C28H25ClFN7O3/c1-15-34-24-14-33-23-13-22(30)19(12-20(23)25(24)37(15)16-5-8-36(9-6-16)28(31)39)18-4-3-17(11-21(18)29)40-26-27(38)35(2)10-7-32-26/h3-4,7,10-14,16H,5-6,8-9H2,1-2H3,(H2,31,39) | PDB
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200410
(US10011599, Example 38 | US9227969, 38 | US9629836...)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
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200439
(US10011599, Example 68 | US9227969, 68 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O3/c1-15-5-7-33-29(35-15)41-17-3-4-18(21(30)9-17)19-10-20-24(11-22(19)31)34-12-25-28(20)38(16(2)36-25)26-6-8-37(13-23(26)32)27(40)14-39/h3-5,7,9-12,23,26,39H,6,8,13-14H2,1-2H3/t23-,26-/m0/s1 | PDB
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200372
(US10011599, Example 1A | US9227969, 1A | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H23ClF2N6O3/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)40-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(39)14-38/h2-4,6-7,9-12,22,25,38H,5,8,13-14H2,1H3/t22-,25-/m0/s1 | PDB
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| US Patent
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200435
(US10011599, Example 64 | US9227969, 64 | US9629836...)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
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200459
(US9227969, 88)Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(C[C@@H]4F)C(=O)CO)c(C)nc3cnc2cc1F |r| Show InChI InChI=1S/C29H26F2N6O4/c1-16-35-24-13-34-23-12-21(30)19(18-5-4-17(10-26(18)40-2)41-29-32-7-3-8-33-29)11-20(23)28(24)37(16)25-6-9-36(14-22(25)31)27(39)15-38/h3-5,7-8,10-13,22,25,38H,6,9,14-15H2,1-2H3/t22-,25-/m0/s1 | PDB
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| US Patent
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200426
(US10011599, Example 87 | US9227969, 53 | US9227969...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H24ClF3N6O3/c1-14-22(32)10-35-29(36-14)42-16-3-4-17(20(30)7-16)18-8-19-24(9-21(18)31)34-11-25-28(19)39(15(2)37-25)26-5-6-38(12-23(26)33)27(41)13-40/h3-4,7-11,23,26,40H,5-6,12-13H2,1-2H3/t23-,26-/m0/s1 | PDB
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200426
(US10011599, Example 87 | US9227969, 53 | US9227969...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H24ClF3N6O3/c1-14-22(32)10-35-29(36-14)42-16-3-4-17(20(30)7-16)18-8-19-24(9-21(18)31)34-11-25-28(19)39(15(2)37-25)26-5-6-38(12-23(26)33)27(41)13-40/h3-4,7-11,23,26,40H,5-6,12-13H2,1-2H3/t23-,26-/m0/s1 | PDB
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| US Patent
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200452
(US10011599, Example 81 | US9227969, 81)Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2cccn(C)c2=O)cc1Cl |r| Show InChI InChI=1S/C31H29ClFN5O4/c1-17(39)30(40)37-11-8-19(9-12-37)38-18(2)35-27-16-34-26-15-25(33)22(14-23(26)29(27)38)21-7-6-20(13-24(21)32)42-28-5-4-10-36(3)31(28)41/h4-7,10,13-17,19,39H,8-9,11-12H2,1-3H3/t17-/m0/s1 | PDB
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| US Patent
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200386
(US10011599, Example 14 | US9227969, 14 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C28H24ClFN6O3/c1-16-34-25-14-33-24-13-23(30)20(19-4-3-18(11-22(19)29)39-28-31-7-2-8-32-28)12-21(24)27(25)36(16)17-5-9-35(10-6-17)26(38)15-37/h2-4,7-8,11-14,17,37H,5-6,9-10,15H2,1H3 | PDB
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| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200466
(US10011599, Example 95 | US9227969, 95 | US9629836...)Show SMILES C[C@H](O)C(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O3/c1-15(39)28(40)37-9-6-26(23(32)14-37)38-16(2)36-25-13-35-24-12-22(31)19(11-20(24)27(25)38)18-5-4-17(10-21(18)30)41-29-33-7-3-8-34-29/h3-5,7-8,10-13,15,23,26,39H,6,9,14H2,1-2H3/t15-,23-,26-/m0/s1 | PDB
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200470
(US10011599, Example 99 | US9227969, 99 | US9629836...)Show SMILES COc1ncnc(Oc2ccc(c(Cl)c2)-c2cc3c4n([C@H]5CCN(C[C@@H]5F)C(=O)CO)c(C)nc4cnc3cc2F)n1 |r| Show InChI InChI=1S/C28H24ClF2N7O4/c1-14-35-23-10-32-22-9-20(30)17(16-4-3-15(7-19(16)29)42-28-34-13-33-27(36-28)41-2)8-18(22)26(23)38(14)24-5-6-37(11-21(24)31)25(40)12-39/h3-4,7-10,13,21,24,39H,5-6,11-12H2,1-2H3/t21-,24-/m0/s1 | PDB
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200434
(US10011599, Example 63 | US9227969, 63 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cccn(C)c2=O)cc1Cl Show InChI InChI=1S/C30H27ClFN5O4/c1-17-34-26-15-33-25-14-24(32)21(13-22(25)29(26)37(17)18-7-10-36(11-8-18)28(39)16-38)20-6-5-19(12-23(20)31)41-27-4-3-9-35(2)30(27)40/h3-6,9,12-15,18,38H,7-8,10-11,16H2,1-2H3 | PDB
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| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200425
(US10011599, Example 52 | US9227969, 52)Show SMILES COCC(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O3/c1-16-36-25-13-35-24-12-22(31)19(18-5-4-17(10-21(18)30)41-29-33-7-3-8-34-29)11-20(24)28(25)38(16)26-6-9-37(14-23(26)32)27(39)15-40-2/h3-5,7-8,10-13,23,26H,6,9,14-15H2,1-2H3/t23-,26-/m0/s1 | PDB
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| PC cid
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| US Patent
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200450
(US10011599, Example 79 | US9227969, 79 | US9629836...)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
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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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200437
(US10011599, Example 66 | US9227969, 66 | US9629836...)Show SMILES COc1cc(C)nc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1 Show InChI InChI=1S/C30H28ClFN6O4/c1-17-10-26(41-3)36-29(35-17)42-18-4-5-19(22(31)11-18)20-12-21-24(13-23(20)32)33-14-25-28(21)38(16-34-25)30(2)6-8-37(9-7-30)27(40)15-39/h4-5,10-14,16,39H,6-9,15H2,1-3H3 | PDB
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| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200419
(US10011599, Example 46 | US9227969, 46 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(F)n2)cc1Cl Show InChI InChI=1S/C28H23ClF2N6O3/c1-15-34-24-13-33-23-12-22(30)19(18-3-2-17(10-21(18)29)40-28-32-7-4-25(31)35-28)11-20(23)27(24)37(15)16-5-8-36(9-6-16)26(39)14-38/h2-4,7,10-13,16,38H,5-6,8-9,14H2,1H3 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200445
(US10011599, Example 74 | US9227969, 74 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2cc(=O)n(C)cn2)cc1Cl Show InChI InChI=1S/C28H25ClFN7O3/c1-15-34-24-13-32-23-11-22(30)19(10-20(23)27(24)37(15)16-5-7-36(8-6-16)28(31)39)18-4-3-17(9-21(18)29)40-25-12-26(38)35(2)14-33-25/h3-4,9-14,16H,5-8H2,1-2H3,(H2,31,39) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200457
(US10011599, Example 86 | US9227969, 86 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)C1CCO1)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C30H25ClF2N6O3/c1-16-37-25-14-36-24-13-22(32)19(18-4-3-17(11-21(18)31)42-30-34-7-2-8-35-30)12-20(24)28(25)39(16)26-5-9-38(15-23(26)33)29(40)27-6-10-41-27/h2-4,7-8,11-14,23,26-27H,5-6,9-10,15H2,1H3/t23-,26-,27?/m0/s1 | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200456
(US10011599, Example 85 | US9227969, 85 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)CC1F)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H22ClF2N7O/c1-16-36-25-14-35-24-13-22(30)19(18-4-3-17(11-21(18)29)39-28-33-7-2-8-34-28)12-20(24)27(25)38(16)26-5-9-37(10-6-32)15-23(26)31/h2-4,7-8,11-14,23,26H,5,9-10,15H2,1H3/t23?,26-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200421
(US10011599, Example 48 | US9227969, 48 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2ncc(F)c(C)n2)cc1Cl Show InChI InChI=1S/C29H25ClF2N6O3/c1-15-24(32)12-34-29(35-15)41-18-3-4-19(22(30)9-18)20-10-21-25(11-23(20)31)33-13-26-28(21)38(16(2)36-26)17-5-7-37(8-6-17)27(40)14-39/h3-4,9-13,17,39H,5-8,14H2,1-2H3 | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200468
(US10011599, Example 97 | US9227969, 97 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CF)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H22ClF3N6O2/c1-15-36-24-13-35-23-11-21(31)18(17-4-3-16(9-20(17)29)40-28-33-6-2-7-34-28)10-19(23)27(24)38(15)25-5-8-37(14-22(25)32)26(39)12-30/h2-4,6-7,9-11,13,22,25H,5,8,12,14H2,1H3/t22-,25-/m0/s1 | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200402
(US10011599, Example 30 | US9227969, 30 | US9629836...)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
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200423
(US10011599, Example 50 | US9227969, 50)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)S(C)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C27H23ClF2N6O3S/c1-15-34-24-13-33-23-12-21(29)18(17-5-4-16(10-20(17)28)39-27-31-7-3-8-32-27)11-19(23)26(24)36(15)25-6-9-35(14-22(25)30)40(2,37)38/h3-5,7-8,10-13,22,25H,6,9,14H2,1-2H3/t22-,25-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200390
(US10011599, Example 18 | US9227969, 18 | US9629836...)Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CCO)CC1 Show InChI InChI=1S/C30H31FN6O3/c1-19-6-9-32-29(35-19)40-20-4-5-21(27(14-20)39-3)22-15-23-25(16-24(22)31)33-17-26-28(23)37(18-34-26)30(2)7-10-36(11-8-30)12-13-38/h4-6,9,14-18,38H,7-8,10-13H2,1-3H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200451
(US10011599, Example 80 | US9227969, 80 | US9629836...)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
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| PC cid
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| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200380
(US10011599, Example 8 | US9227969, 8 | US9629836, ...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)S(=O)(=O)C1CC1)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3S/c1-17-35-27-16-34-26-15-25(31)22(21-6-3-19(13-24(21)30)40-29-32-9-2-10-33-29)14-23(26)28(27)37(17)18-7-11-36(12-8-18)41(38,39)20-4-5-20/h2-3,6,9-10,13-16,18,20H,4-5,7-8,11-12H2,1H3 | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200387
(US10011599, Example 15 | US9227969, 15 | US9629836...)Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CCO)CC2)n1 Show InChI InChI=1S/C29H28ClFN6O2/c1-18-5-8-32-28(35-18)39-19-3-4-20(23(30)13-19)21-14-22-25(15-24(21)31)33-16-26-27(22)37(17-34-26)29(2)6-9-36(10-7-29)11-12-38/h3-5,8,13-17,38H,6-7,9-12H2,1-2H3 | PDB
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| PC cid
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| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200431
(US10011599, Example 59 | US9227969, 59 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC#N)CC1)-c1ccc(Oc2cc(C)nc(n2)C#N)cc1Cl Show InChI InChI=1S/C30H24ClFN8O/c1-17-11-29(38-28(15-34)36-17)41-20-3-4-21(24(31)12-20)22-13-23-26(14-25(22)32)35-16-27-30(23)40(18(2)37-27)19-5-8-39(9-6-19)10-7-33/h3-4,11-14,16,19H,5-6,8-10H2,1-2H3 | PDB
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| PC cid
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| US Patent
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200462
(US10011599, Example 91 | US9227969, 91 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)COS(O)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H23ClF2N6O6S/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)43-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(38)14-42-44(39,40)41/h2-4,6-7,9-12,22,25H,5,8,13-14H2,1H3,(H,39,40,41)/t22-,25-/m0/s1 | PDB
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PC sid
UniChem
| US Patent
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200407
(US10011599, Example 35 | US9227969, 35 | US9629836...)Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl |r| Show InChI InChI=1S/C30H28ClFN6O3/c1-16-6-9-33-30(35-16)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-28(23)38(18(3)36-27)19-7-10-37(11-8-19)29(40)17(2)39/h4-6,9,12-15,17,19,39H,7-8,10-11H2,1-3H3/t17-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200471
(US9227969, 57)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(CC#N)C[C@H]1F)-c1ccc(Oc2nccc(C)n2)cc1Cl |r| Show InChI InChI=1S/C29H24ClF2N7O/c1-16-5-8-34-29(36-16)40-18-3-4-19(22(30)11-18)20-12-21-25(13-23(20)31)35-14-26-28(21)39(17(2)37-26)27-6-9-38(10-7-33)15-24(27)32/h3-5,8,11-14,24,27H,6,9-10,15H2,1-2H3/t24-,27+/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200401
(US10011599, Example 29 | US9227969, 29 | US9629836...)Show SMILES CC(O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C30H28ClFN6O3/c1-16-6-9-33-30(35-16)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-28(23)38(18(3)36-27)19-7-10-37(11-8-19)29(40)17(2)39/h4-6,9,12-15,17,19,39H,7-8,10-11H2,1-3H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200396
(US10011599, Example 24 | US9227969, 24 | US9629836...)Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(=O)CO Show InChI InChI=1S/C30H29FN6O4/c1-18-6-9-32-29(35-18)41-19-4-5-20(26(12-19)40-3)21-13-22-24(14-23(21)31)33-15-25-28(22)37(17-34-25)30(2)7-10-36(11-8-30)27(39)16-38/h4-6,9,12-15,17,38H,7-8,10-11,16H2,1-3H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200455
(US10011599, Example 84 | US9227969, 84)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC#N)CC1)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C28H23ClFN7O/c1-17-35-26-16-34-25-15-24(30)21(20-4-3-19(13-23(20)29)38-28-32-8-2-9-33-28)14-22(25)27(26)37(17)18-5-10-36(11-6-18)12-7-31/h2-4,8-9,13-16,18H,5-6,10-12H2,1H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200413
(US9227969, 41)Show SMILES Cc1ccnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(CO)CCN(CC2)C(=O)CN)n1 Show InChI InChI=1S/C29H27ClFN7O3/c1-17-4-7-33-28(36-17)41-18-2-3-19(22(30)10-18)20-11-21-24(12-23(20)31)34-14-25-27(21)38(16-35-25)29(15-39)5-8-37(9-6-29)26(40)13-32/h2-4,7,10-12,14,16,39H,5-6,8-9,13,15,32H2,1H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200464
(US10011599, Example 93 | US9227969, 93 | US9629836...)Show SMILES CC(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H23ClF2N6O2/c1-15-35-25-13-34-24-12-22(30)19(18-5-4-17(10-21(18)29)39-28-32-7-3-8-33-28)11-20(24)27(25)37(15)26-6-9-36(16(2)38)14-23(26)31/h3-5,7-8,10-13,23,26H,6,9,14H2,1-2H3/t23-,26-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200408
(US10011599, Example 36 | US9227969, 36 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CCO)CC1)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C29H28ClFN6O2/c1-17-5-8-32-29(34-17)39-20-3-4-21(24(30)13-20)22-14-23-26(15-25(22)31)33-16-27-28(23)37(18(2)35-27)19-6-9-36(10-7-19)11-12-38/h3-5,8,13-16,19,38H,6-7,9-12H2,1-2H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200405
(US10011599, Example 33 | US9227969, 33 | US9629836...)Show SMILES CC1(CCN(CC1)C(=O)CO)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C28H24ClFN6O3/c1-28(5-9-35(10-6-28)25(38)15-37)36-16-34-24-14-33-23-13-22(30)19(12-20(23)26(24)36)18-4-3-17(11-21(18)29)39-27-31-7-2-8-32-27/h2-4,7-8,11-14,16,37H,5-6,9-10,15H2,1H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200393
(US10011599, Example 21 | US9227969, 21 | US9629836...)Show SMILES CC(O)C(=O)N1CCC(C)(CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C30H28ClFN6O3/c1-17-6-9-33-29(36-17)41-19-4-5-20(23(31)12-19)21-13-22-25(14-24(21)32)34-15-26-27(22)38(16-35-26)30(3)7-10-37(11-8-30)28(40)18(2)39/h4-6,9,12-16,18,39H,7-8,10-11H2,1-3H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200463
(US10011599, Example 92 | US9227969, 92 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1F |r| Show InChI InChI=1S/C28H23F3N6O3/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)40-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(39)14-38/h2-4,6-7,9-12,22,25,38H,5,8,13-14H2,1H3/t22-,25-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200404
(US10011599, Example 32 | US9227969, 32 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)S(C)(=O)=O)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C28H26ClFN6O3S/c1-16-6-9-31-28(33-16)39-19-4-5-20(23(29)12-19)21-13-22-25(14-24(21)30)32-15-26-27(22)36(17(2)34-26)18-7-10-35(11-8-18)40(3,37)38/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200442
(US10011599, Example 71 | US9227969, 71 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1F Show InChI InChI=1S/C29H26F2N6O3/c1-16-5-8-32-29(34-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)33-14-26-28(22)37(17(2)35-26)18-6-9-36(10-7-18)27(39)15-38/h3-5,8,11-14,18,38H,6-7,9-10,15H2,1-2H3 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200469
(US10011599, Example 98 | US9227969, 98 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CCO)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O3/c1-16-36-25-14-35-24-13-22(31)19(18-4-3-17(11-21(18)30)41-29-33-7-2-8-34-29)12-20(24)28(25)38(16)26-5-9-37(15-23(26)32)27(40)6-10-39/h2-4,7-8,11-14,23,26,39H,5-6,9-10,15H2,1H3/t23-,26-/m0/s1 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200467
(US10011599, Example 96 | US9227969, 96 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CF)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C28H23ClF2N6O2/c1-16-35-25-15-34-24-13-23(31)20(19-4-3-18(11-22(19)29)39-28-32-7-2-8-33-28)12-21(24)27(25)37(16)17-5-9-36(10-6-17)26(38)14-30/h2-4,7-8,11-13,15,17H,5-6,9-10,14H2,1H3 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200377
(US10011599, Example 5 | US9227969, 5 | US9629836, ...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)S(C)(=O)=O)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C27H24ClFN6O3S/c1-16-33-25-15-32-24-14-23(29)20(19-5-4-18(12-22(19)28)38-27-30-8-3-9-31-27)13-21(24)26(25)35(16)17-6-10-34(11-7-17)39(2,36)37/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200447
(US10011599, Example 76 | US9227969, 76)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(N)=O)-c1ccc(Oc2nccc(C)n2)cc1C Show InChI InChI=1S/C29H28FN7O2/c1-16-12-20(39-29-32-9-6-17(2)34-29)4-5-21(16)22-13-23-25(14-24(22)30)33-15-26-27(23)37(18(3)35-26)19-7-10-36(11-8-19)28(31)38/h4-6,9,12-15,19H,7-8,10-11H2,1-3H3,(H2,31,38) | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200443
(US10011599, Example 72 | US9227969, 72 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2cc(=O)n(C)cn2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O4/c1-16-34-25-13-32-24-11-23(31)20(10-21(24)29(25)37(16)17-5-7-36(8-6-17)28(40)14-38)19-4-3-18(9-22(19)30)41-26-12-27(39)35(2)15-33-26/h3-4,9-13,15,17,38H,5-8,14H2,1-2H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200428
(US10011599, Example 55 | US9227969, 55 | US9629836...)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
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UniProtKB/SwissProt
DrugBank
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antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200454
(US10011599, Example 83 | US9227969, 83 | US9629836...)Show SMILES Cc1ccnc(Oc2ccc(c(F)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)n1 Show InChI InChI=1S/C29H26F2N6O3/c1-17-5-8-32-28(35-17)40-18-3-4-19(22(30)11-18)20-12-21-24(13-23(20)31)33-14-25-27(21)37(16-34-25)29(2)6-9-36(10-7-29)26(39)15-38/h3-5,8,11-14,16,38H,6-7,9-10,15H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200438
(US10011599, Example 67 | US9227969, 67 | US9629836...)Show SMILES COCC(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C30H28ClFN6O3/c1-17-6-9-33-30(35-17)41-20-4-5-21(24(31)12-20)22-13-23-26(14-25(22)32)34-15-27-29(23)38(18(2)36-27)19-7-10-37(11-8-19)28(39)16-40-3/h4-6,9,12-15,19H,7-8,10-11,16H2,1-3H3 | PDB
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UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200440
(US10011599, Example 69 | US9227969, 69 | US9629836...)Show SMILES Cn1cnc(Oc2ccc(c(Cl)c2)-c2cc3c4n(cnc4cnc3cc2F)C2(C)CCN(CC2)C(=O)CO)cc1=O Show InChI InChI=1S/C29H26ClFN6O4/c1-29(5-7-36(8-6-29)27(40)14-38)37-16-33-24-13-32-23-11-22(31)19(10-20(23)28(24)37)18-4-3-17(9-21(18)30)41-25-12-26(39)35(2)15-34-25/h3-4,9-13,15-16,38H,5-8,14H2,1-2H3 | PDB
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UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200388
(US10011599, Example 16 | US9227969, 16 | US9629836...)Show SMILES CC(CO)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H28ClFN6O2/c1-17(16-38)36-10-6-19(7-11-36)37-18(2)35-27-15-34-26-14-25(31)22(13-23(26)28(27)37)21-5-4-20(12-24(21)30)39-29-32-8-3-9-33-29/h3-5,8-9,12-15,17,19,38H,6-7,10-11,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200415
(US10011599, Example 43B | US9227969, 43A | US92279...)Show SMILES CC(F)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H25ClF2N6O2/c1-16(31)28(39)37-10-6-18(7-11-37)38-17(2)36-26-15-35-25-14-24(32)21(13-22(25)27(26)38)20-5-4-19(12-23(20)30)40-29-33-8-3-9-34-29/h3-5,8-9,12-16,18H,6-7,10-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200378
(US10011599, Example 6 | US9227969, 6 | US9629836, ...)Show SMILES CC(O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-16(38)28(39)36-10-6-18(7-11-36)37-17(2)35-26-15-34-25-14-24(31)21(13-22(25)27(26)37)20-5-4-19(12-23(20)30)40-29-32-8-3-9-33-29/h3-5,8-9,12-16,18,38H,6-7,10-11H2,1-2H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200399
(US10011599, Example 27 | US9227969, 27 | US9629836...)Show SMILES CC(O)C(=O)N1CCC(C)(CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-17(38)27(39)36-10-6-29(2,7-11-36)37-16-35-25-15-34-24-14-23(31)20(13-21(24)26(25)37)19-5-4-18(12-22(19)30)40-28-32-8-3-9-33-28/h3-5,8-9,12-17,38H,6-7,10-11H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200448
(US10011599, Example 77 | US9227969, 77 | US9629836...)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
antibodypedia
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200414
(US10011599, Example 42 | US9227969, 42 | US9629836...)Show SMILES COCC(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H26ClFN6O3/c1-17-35-26-15-34-25-14-24(31)21(20-5-4-19(12-23(20)30)40-29-32-8-3-9-33-29)13-22(25)28(26)37(17)18-6-10-36(11-7-18)27(38)16-39-2/h3-5,8-9,12-15,18H,6-7,10-11,16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200406
(US10011599, Example 34 | US9227969, 34 | US9629836...)Show SMILES C[C@H](O)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C29H26ClFN6O3/c1-16(38)28(39)36-10-6-18(7-11-36)37-17(2)35-26-15-34-25-14-24(31)21(13-22(25)27(26)37)20-5-4-19(12-23(20)30)40-29-32-8-3-9-33-29/h3-5,8-9,12-16,18,38H,6-7,10-11H2,1-2H3/t16-/m0/s1 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200389
(US10011599, Example 17 | US9227969, 17 | US9629836...)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
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200381
(US10011599, Example 9 | US9227969, 9 | US9629836, ...)Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H28ClFN6O3S/c1-17(2)41(38,39)36-11-7-19(8-12-36)37-18(3)35-27-16-34-26-15-25(31)22(14-23(26)28(27)37)21-6-5-20(13-24(21)30)40-29-32-9-4-10-33-29/h4-6,9-10,13-17,19H,7-8,11-12H2,1-3H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200375
(US10011599, Example 3 | US9227969, 3 | US9629836, ...)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 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200432
(US10011599, Example 60 | US9227969, 60 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC#N)CC1)-c1ccc(Oc2cc(=O)n(C)cn2)cc1Cl Show InChI InChI=1S/C29H25ClFN7O2/c1-17-35-26-15-33-25-13-24(31)21(12-22(25)29(26)38(17)18-5-8-37(9-6-18)10-7-32)20-4-3-19(11-23(20)30)40-27-14-28(39)36(2)16-34-27/h3-4,11-16,18H,5-6,8-10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200373
(US9227969, 1B | US9629836, 1B)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(C[C@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C28H23ClF2N6O3/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)40-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(39)14-38/h2-4,6-7,9-12,22,25,38H,5,8,13-14H2,1H3/t22-,25?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200392
(US10011599, Example 20 | US9227969, 20 | US9629836...)Show SMILES COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c3n(cnc3cnc2cc1F)C1(C)CCN(CC1)C(=O)C(C)O Show InChI InChI=1S/C31H31FN6O4/c1-18-7-10-33-30(36-18)42-20-5-6-21(27(13-20)41-4)22-14-23-25(15-24(22)32)34-16-26-28(23)38(17-35-26)31(3)8-11-37(12-9-31)29(40)19(2)39/h5-7,10,13-17,19,39H,8-9,11-12H2,1-4H3 | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 157 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200449
(US10011599, Example 78 | US9227969, 78 | US9629836...)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/a | n/a | 179 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200412
(US10011599, Example 40 | US9227969, 40 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CN)-c1ccc(Oc2nccc(C)n2)cc1Cl Show InChI InChI=1S/C29H27ClFN7O2/c1-16-5-8-33-29(35-16)40-19-3-4-20(23(30)11-19)21-12-22-25(13-24(21)31)34-15-26-28(22)38(17(2)36-26)18-6-9-37(10-7-18)27(39)14-32/h3-5,8,11-13,15,18H,6-7,9-10,14,32H2,1-2H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200418
(US10011599, Example 45 | US9227969, 45 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)NCC(F)(F)F)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H24ClF4N7O2/c1-16-39-25-14-37-24-13-23(31)20(19-4-3-18(11-22(19)30)43-27-35-7-2-8-36-27)12-21(24)26(25)41(16)17-5-9-40(10-6-17)28(42)38-15-29(32,33)34/h2-4,7-8,11-14,17H,5-6,9-10,15H2,1H3,(H,38,42) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200472
(US9227969, 61)Show SMILES COc1cc(Oc2ncccn2)ccc1-c1cc2c3n([C@H]4CCN(CC#N)C[C@H]4F)c(C)nc3cnc2cc1F |r| Show InChI InChI=1S/C29H25F2N7O2/c1-17-36-25-15-35-24-14-22(30)20(19-5-4-18(12-27(19)39-2)40-29-33-8-3-9-34-29)13-21(24)28(25)38(17)26-6-10-37(11-7-32)16-23(26)31/h3-5,8-9,12-15,23,26H,6,10-11,16H2,1-2H3/t23-,26+/m1/s1 | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 211 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200384
(US10011599, Example 12 | US9227969, 12 | US9629836...)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 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200382
(US10011599, Example 10 | US9227969, 10 | US9629836...)Show SMILES CN(C)S(=O)(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C28H27ClFN7O3S/c1-17-34-26-16-33-25-15-24(30)21(20-6-5-19(13-23(20)29)40-28-31-9-4-10-32-28)14-22(25)27(26)37(17)18-7-11-36(12-8-18)41(38,39)35(2)3/h4-6,9-10,13-16,18H,7-8,11-12H2,1-3H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200422
(US10011599, Example 49 | US9227969, 49 | US9629836...)Show SMILES CC(=O)OCC(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r| Show InChI InChI=1S/C30H25ClF2N6O4/c1-16-37-26-13-36-25-12-23(32)20(19-5-4-18(10-22(19)31)43-30-34-7-3-8-35-30)11-21(25)29(26)39(16)27-6-9-38(14-24(27)33)28(41)15-42-17(2)40/h3-5,7-8,10-13,24,27H,6,9,14-15H2,1-2H3/t24-,27-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 232 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200429
(US10011599, Example 56 | US9227969, 56 | US9629836...)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 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200376
(US10011599, Example 4 | US9227969, 4 | US9629836, ...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC2(C)COC2)CC1)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C31H30ClFN6O2/c1-19-37-28-15-36-27-14-26(33)23(22-5-4-21(12-25(22)32)41-30-34-8-3-9-35-30)13-24(27)29(28)39(19)20-6-10-38(11-7-20)16-31(2)17-40-18-31/h3-5,8-9,12-15,20H,6-7,10-11,16-18H2,1-2H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200395
(US10011599, Example 23 | US9227969, 23 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC(CO)CO)CC1)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C30H30ClFN6O3/c1-18-36-28-14-35-27-13-26(32)23(22-4-3-21(11-25(22)31)41-30-33-7-2-8-34-30)12-24(27)29(28)38(18)20-5-9-37(10-6-20)15-19(16-39)17-40/h2-4,7-8,11-14,19-20,39-40H,5-6,9-10,15-17H2,1H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 322 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200391
(US10011599, Example 19 | US9227969, 19 | US9629836...)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 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 333 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200411
(US10011599, Example 39 | US9227969, 39 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CN)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C28H25ClFN7O2/c1-16-35-25-15-34-24-13-23(30)20(19-4-3-18(11-22(19)29)39-28-32-7-2-8-33-28)12-21(24)27(25)37(16)17-5-9-36(10-6-17)26(38)14-31/h2-4,7-8,11-13,15,17H,5-6,9-10,14,31H2,1H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 455 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200379
(US10011599, Example 7 | US9227969, 7 | US9629836, ...)Show SMILES CC(O)CN1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H28ClFN6O2/c1-17(38)16-36-10-6-19(7-11-36)37-18(2)35-27-15-34-26-14-25(31)22(13-23(26)28(27)37)21-5-4-20(12-24(21)30)39-29-32-8-3-9-33-29/h3-5,8-9,12-15,17,19,38H,6-7,10-11,16H2,1-2H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 468 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200385
(US10011599, Example 13 | US9227969, 13 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC(N)=O)CC1)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C28H25ClFN7O2/c1-16-35-25-14-34-24-13-23(30)20(19-4-3-18(11-22(19)29)39-28-32-7-2-8-33-28)12-21(24)27(25)37(16)17-5-9-36(10-6-17)15-26(31)38/h2-4,7-8,11-14,17H,5-6,9-10,15H2,1H3,(H2,31,38) | PDB
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| PC cid
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| US Patent
| n/a | n/a | 515 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200415
(US10011599, Example 43B | US9227969, 43A | US92279...)Show SMILES CC(F)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H25ClF2N6O2/c1-16(31)28(39)37-10-6-18(7-11-37)38-17(2)36-26-15-35-25-14-24(32)21(13-22(25)27(26)38)20-5-4-19(12-23(20)30)40-29-33-8-3-9-34-29/h3-5,8-9,12-16,18H,6-7,10-11H2,1-2H3 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 547 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200397
(US10011599, Example 25 | US9227969, 25 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC2COC2)CC1)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C30H28ClFN6O2/c1-18-36-28-14-35-27-13-26(32)23(22-4-3-21(11-25(22)31)40-30-33-7-2-8-34-30)12-24(27)29(28)38(18)20-5-9-37(10-6-20)15-19-16-39-17-19/h2-4,7-8,11-14,19-20H,5-6,9-10,15-17H2,1H3 | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 655 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200374
(US10011599, Example 2 | US9227969, 2 | US9629836, ...)Show SMILES COCCN1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H28ClFN6O2/c1-18-35-27-17-34-26-16-25(31)22(21-5-4-20(14-24(21)30)39-29-32-8-3-9-33-29)15-23(26)28(27)37(18)19-6-10-36(11-7-19)12-13-38-2/h3-5,8-9,14-17,19H,6-7,10-13H2,1-2H3 | PDB
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UniChem
| US Patent
| n/a | n/a | 726 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200394
(US10011599, Example 22 | US9227969, 22 | US9629836...)Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)C(CO)CO)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C30H28ClFN6O4/c1-17-36-27-14-35-26-13-25(32)22(21-4-3-20(11-24(21)31)42-30-33-7-2-8-34-30)12-23(26)28(27)38(17)19-5-9-37(10-6-19)29(41)18(15-39)16-40/h2-4,7-8,11-14,18-19,39-40H,5-6,9-10,15-16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM200383
(US10011599, Example 11 | US9227969, 11 | US9629836...)Show SMILES CN(C)C(=O)N1CCC(CC1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl Show InChI InChI=1S/C29H27ClFN7O2/c1-17-35-26-16-34-25-15-24(31)21(20-6-5-19(13-23(20)30)40-28-32-9-4-10-33-28)14-22(25)27(26)38(17)18-7-11-37(12-8-18)29(39)36(2)3/h4-6,9-10,13-16,18H,7-8,11-12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.35E+3 | n/a | n/a | n/a | n/a | 7.5 | n/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 | |
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