BDBM50134926 CHEMBL2376663
SMILES: CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1
InChI Key: InChIKey=FZDHOKPYJLKZIM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50134926 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/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50134926
(CHEMBL2376663)Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c1-28(2)33(30,31)27-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)26-17-7-6-13(24)10-16(17)23/h3-11,26-27H,1-2H3,(H2,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028
BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134926
(CHEMBL2376663)Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c1-28(2)33(30,31)27-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)26-17-7-6-13(24)10-16(17)23/h3-11,26-27H,1-2H3,(H2,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this
Ligand-Target Pair | |
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