BindingDB logo
myBDB logout

USPatent US8575391

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50222709
PNG
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)
Show SMILES OCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 2n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104963
PNG
(CHEMBL507361 | US8575391, Q)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 5.20n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104959
PNG
(US8575391, G-2)
Show SMILES OCCONC(=O)c1cc(CN2OCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C19H17F3IN3O5/c20-13-8-11(23)1-2-14(13)24-18-12(19(29)25-30-6-4-27)7-10(16(21)17(18)22)9-26-15(28)3-5-31-26/h1-2,7-8,24,27H,3-6,9H2,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.20n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104951
PNG
(US8575391, F-2)
Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(C)=O
Show InChI InChI=1S/C19H19F3IN3O5/c1-10(28)26(30-2)9-11-7-13(19(29)25-31-6-5-27)18(17(22)16(11)21)24-15-4-3-12(23)8-14(15)20/h3-4,7-8,24,27H,5-6,9H2,1-2H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.60n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50338038
PNG
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)
Show SMILES OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
US Patent
n/an/a 8.80n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104949
PNG
(US8575391, C-31)
Show SMILES CS(=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C19H21F3IN3O5S/c1-32(29)7-6-30-24-10-11-8-13(19(28)26-31-5-4-27)18(17(22)16(11)21)25-15-3-2-12(23)9-14(15)20/h2-3,8-9,24-25,27H,4-7,10H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104939
PNG
(US8575391, B-9)
Show SMILES OCCONC(=O)c1cc(COCC(O)CO)c(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C19H20F3IN2O6/c20-14-6-11(23)1-2-15(14)24-18-13(19(29)25-31-4-3-26)5-10(16(21)17(18)22)8-30-9-12(28)7-27/h1-2,5-6,12,24,26-28H,3-4,7-9H2,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104945
PNG
(US8575391, C-10)
Show SMILES OCCCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C19H21F3IN3O5/c20-14-9-12(23)2-3-15(14)25-18-13(19(29)26-31-7-5-28)8-11(16(21)17(18)22)10-24-30-6-1-4-27/h2-3,8-9,24-25,27-28H,1,4-7,10H2,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104941
PNG
(US8575391, C-1)
Show SMILES OCCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C18H19F3IN3O5/c19-13-8-11(22)1-2-14(13)24-17-12(18(28)25-30-6-4-27)7-10(15(20)16(17)21)9-23-29-5-3-26/h1-2,7-8,23-24,26-27H,3-6,9H2,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104936
PNG
(US8575391, B-1)
Show SMILES OCCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C18H18F3IN2O5/c19-13-8-11(22)1-2-14(13)23-17-12(18(27)24-29-6-4-26)7-10(9-28-5-3-25)15(20)16(17)21/h1-2,7-8,23,25-26H,3-6,9H2,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 21n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104938
PNG
(US8575391, B-6)
Show SMILES OCCCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C19H20F3IN2O5/c20-14-9-12(23)2-3-15(14)24-18-13(19(28)25-30-7-5-27)8-11(16(21)17(18)22)10-29-6-1-4-26/h2-3,8-9,24,26-27H,1,4-7,10H2,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 23n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104946
PNG
(US8575391, C-13)
Show SMILES CNC(=O)CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C19H20F3IN4O5/c1-24-15(29)9-32-25-8-10-6-12(19(30)27-31-5-4-28)18(17(22)16(10)21)26-14-3-2-11(23)7-13(14)20/h2-3,6-7,25-26,28H,4-5,8-9H2,1H3,(H,24,29)(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 28n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104955
PNG
(US8575391, F-6)
Show SMILES COCC(=O)N(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)OC
Show InChI InChI=1S/C20H21F3IN3O6/c1-31-10-16(29)27(32-2)9-11-7-13(20(30)26-33-6-5-28)19(18(23)17(11)22)25-15-4-3-12(24)8-14(15)21/h3-4,7-8,25,28H,5-6,9-10H2,1-2H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 28n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104952
PNG
(US8575391, F-3)
Show SMILES CCC(=O)N(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)OC
Show InChI InChI=1S/C20H21F3IN3O5/c1-3-16(29)27(31-2)10-11-8-13(20(30)26-32-7-6-28)19(18(23)17(11)22)25-15-5-4-12(24)9-14(15)21/h4-5,8-9,25,28H,3,6-7,10H2,1-2H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 29n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104940
PNG
(US8575391, B-12)
Show SMILES CS(=O)(=O)CCOCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C19H20F3IN2O6S/c1-32(28,29)7-6-30-10-11-8-13(19(27)25-31-5-4-26)18(17(22)16(11)21)24-15-3-2-12(23)9-14(15)20/h2-3,8-9,24,26H,4-7,10H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 31n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104944
PNG
(US8575391, C-8)
Show SMILES CS(=O)(=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C19H21F3IN3O6S/c1-33(29,30)7-6-31-24-10-11-8-13(19(28)26-32-5-4-27)18(17(22)16(11)21)25-15-3-2-12(23)9-14(15)20/h2-3,8-9,24-25,27H,4-7,10H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 32n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104937
PNG
(US8575391, B-2)
Show SMILES OCCOCc1cc(C(=O)NOCCO)c(Nc2ccc(cc2F)C#C)c(F)c1F
Show InChI InChI=1S/C20H19F3N2O5/c1-2-12-3-4-16(15(21)9-12)24-19-14(20(28)25-30-8-6-27)10-13(11-29-7-5-26)17(22)18(19)23/h1,3-4,9-10,24,26-27H,5-8,11H2,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 32n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104950
PNG
(US8575391, F-1)
Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C=O
Show InChI InChI=1S/C18H17F3IN3O5/c1-29-25(9-27)8-10-6-12(18(28)24-30-5-4-26)17(16(21)15(10)20)23-14-3-2-11(22)7-13(14)19/h2-3,6-7,9,23,26H,4-5,8H2,1H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 35n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104953
PNG
(US8575391, F-4)
Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(=O)C(C)C
Show InChI InChI=1S/C21H23F3IN3O5/c1-11(2)21(31)28(32-3)10-12-8-14(20(30)27-33-7-6-29)19(18(24)17(12)23)26-16-5-4-13(25)9-15(16)22/h4-5,8-9,11,26,29H,6-7,10H2,1-3H3,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 35n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104960
PNG
(US8575391, G-3)
Show SMILES CC1(C)CON(Cc2cc(C(=O)NOCCO)c(Nc3ccc(I)cc3F)c(F)c2F)C1=O
Show InChI InChI=1S/C21H21F3IN3O5/c1-21(2)10-33-28(20(21)31)9-11-7-13(19(30)27-32-6-5-29)18(17(24)16(11)23)26-15-4-3-12(25)8-14(15)22/h3-4,7-8,26,29H,5-6,9-10H2,1-2H3,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 37n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104962
PNG
(US8575391, G-5)
Show SMILES OCCONC(=O)c1cc(CN2OCCC2=O)c(F)c(F)c1Nc1ccc(cc1F)C#C
Show InChI InChI=1S/C21H18F3N3O5/c1-2-12-3-4-16(15(22)9-12)25-20-14(21(30)26-31-8-6-28)10-13(18(23)19(20)24)11-27-17(29)5-7-32-27/h1,3-4,9-10,25,28H,5-8,11H2,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104954
PNG
(US8575391, F-5)
Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(=O)CO
Show InChI InChI=1S/C19H19F3IN3O6/c1-31-26(15(29)9-28)8-10-6-12(19(30)25-32-5-4-27)18(17(22)16(10)21)24-14-3-2-11(23)7-13(14)20/h2-3,6-7,24,27-28H,4-5,8-9H2,1H3,(H,25,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 43n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104956
PNG
(US8575391, F-7)
Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(cc2F)C#C)c(F)c1F)C(C)=O
Show InChI InChI=1S/C21H20F3N3O5/c1-4-13-5-6-17(16(22)9-13)25-20-15(21(30)26-32-8-7-28)10-14(18(23)19(20)24)11-27(31-3)12(2)29/h1,5-6,9-10,25,28H,7-8,11H2,2-3H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 48n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104942
PNG
(US8575391, C-6)
Show SMILES CNC(=O)CCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C20H22F3IN4O5/c1-25-16(30)4-6-32-26-10-11-8-13(20(31)28-33-7-5-29)19(18(23)17(11)22)27-15-3-2-12(24)9-14(15)21/h2-3,8-9,26-27,29H,4-7,10H2,1H3,(H,25,30)(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 49n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104961
PNG
(US8575391, G-4)
Show SMILES OCCONC(=O)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(cc1F)C#C
Show InChI InChI=1S/C22H20F3N3O5/c1-2-13-5-6-17(16(23)10-13)26-21-15(22(31)27-32-9-7-29)11-14(19(24)20(21)25)12-28-18(30)4-3-8-33-28/h1,5-6,10-11,26,29H,3-4,7-9,12H2,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 56n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104957
PNG
(US8575391, F-8)
Show SMILES CCC(=O)N(Cc1cc(C(=O)NOCCO)c(Nc2ccc(cc2F)C#C)c(F)c1F)OC
Show InChI InChI=1S/C22H22F3N3O5/c1-4-13-6-7-17(16(23)10-13)26-21-15(22(31)27-33-9-8-29)11-14(19(24)20(21)25)12-28(32-3)18(30)5-2/h1,6-7,10-11,26,29H,5,8-9,12H2,2-3H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 65n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104948
PNG
(US8575391, C-28)
Show SMILES CC(C)(O)CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C20H23F3IN3O5/c1-20(2,30)10-32-25-9-11-7-13(19(29)27-31-6-5-28)18(17(23)16(11)22)26-15-4-3-12(24)8-14(15)21/h3-4,7-8,25-26,28,30H,5-6,9-10H2,1-2H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 68n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104947
PNG
(US8575391, C-24)
Show SMILES CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C17H17F3IN3O4/c1-27-22-8-9-6-11(17(26)24-28-5-4-25)16(15(20)14(9)19)23-13-3-2-10(21)7-12(13)18/h2-3,6-7,22-23,25H,4-5,8H2,1H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 68n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104958
PNG
(US8575391, F-9)
Show SMILES CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(cc2F)C#C)c(F)c1F)C(=O)C(C)C
Show InChI InChI=1S/C23H24F3N3O5/c1-5-14-6-7-18(17(24)10-14)27-21-16(22(31)28-34-9-8-30)11-15(19(25)20(21)26)12-29(33-4)23(32)13(2)3/h1,6-7,10-11,13,27,30H,8-9,12H2,2-4H3,(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 70n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50132260
PNG
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)
Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 130n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM104943
PNG
(US8575391, C-7)
Show SMILES CC(=O)NCCONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Show InChI InChI=1S/C20H22F3IN4O5/c1-11(30)25-4-6-32-26-10-12-8-14(20(31)28-33-7-5-29)19(18(23)17(12)22)27-16-3-2-13(24)9-15(16)21/h2-3,8-9,26-27,29H,4-7,10H2,1H3,(H,25,30)(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 140n/an/an/an/an/an/a



Chugai Seiyaku Kabushiki Kaisha

US Patent


Assay Description
Inhibition assay using MEK kinase.


US Patent US8575391 (2013)


BindingDB Entry DOI: 10.7270/Q22B8WPF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%