null
SMILES: OC[C@@H](O)Cn1cnc2cncc(Nc3ccc(I)cc3F)c2c1=O
InChI Key: InChIKey=UNDDRDUPXYCODB-JTQLQIEISA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50014417 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50014417
(CHEMBL3261157)Show SMILES OC[C@@H](O)Cn1cnc2cncc(Nc3ccc(I)cc3F)c2c1=O |r| Show InChI InChI=1S/C16H14FIN4O3/c17-11-3-9(18)1-2-12(11)21-14-5-19-4-13-15(14)16(25)22(8-20-13)6-10(24)7-23/h1-5,8,10,21,23-24H,6-7H2/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | 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 | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50014417
(CHEMBL3261157)Show SMILES OC[C@@H](O)Cn1cnc2cncc(Nc3ccc(I)cc3F)c2c1=O |r| Show InChI InChI=1S/C16H14FIN4O3/c17-11-3-9(18)1-2-12(11)21-14-5-19-4-13-15(14)16(25)22(8-20-13)6-10(24)7-23/h1-5,8,10,21,23-24H,6-7H2/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 108 | 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 | |