Found 4 hits 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
(321/322 > 99%)† (Homo sapiens (Human)) | BDBM50337926
((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r| Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) |
Bioorg Med Chem Lett 24: 2555-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.086 BindingDB Entry DOI: 10.7270/Q2PG1T73 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(321/322 > 99%)† (Homo sapiens (Human)) | BDBM50337926
((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r| Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda San Diego
Curated by ChEMBL
| Assay Description Inhibition of MEK1 by IMAP assay |
Bioorg Med Chem Lett 21: 1315-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.071 BindingDB Entry DOI: 10.7270/Q2833SB8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1 [2-31,52-393,S218E,S222D]
(319/322 > 99%)† (Homo sapiens (Human)) | BDBM50337926
((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r| Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Takeda Pharmaceutical Company Limted
US Patent
| Assay Description Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices. |
US Patent US8470837 (2013)
BindingDB Entry DOI: 10.7270/Q2N29VJ4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(321/322 > 99%)† (Homo sapiens (Human)) | BDBM50337926
((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r| Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1 | 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 Article PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of MEK1 in human COLO205 cells |
Bioorg Med Chem Lett 24: 2555-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.086 BindingDB Entry DOI: 10.7270/Q2PG1T73 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |