Found 31 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
(Homo sapiens (Human)) | BDBM50222709
(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-N-(2-h...)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
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104963
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| 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
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
US Patent
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104959
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
US Patent
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104949
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104938
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/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
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)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
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (docked) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104943
(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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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