Found 3 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
(332/332 = 100%)†
(Homo sapiens (Human)) | BDBM50420694
(CHEMBL2087078)Show SMILES C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation after 30 mins by HTRF assay |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094
BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(332/332 = 100%)†
(Homo sapiens (Human)) | BDBM50420694
(CHEMBL2087078)Show SMILES C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 7.20 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human A375 cells after 2 hrs by immunoblotting method |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094
BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(332/332 = 100%)†
(Homo sapiens (Human)) | BDBM50420694
(CHEMBL2087078)Show SMILES C[C@H](O)CONC(=O)c1oc2c(F)cncc2c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C17H14F2IN3O4/c1-8(24)7-26-23-17(25)16-14(10-5-21-6-12(19)15(10)27-16)22-13-3-2-9(20)4-11(13)18/h2-6,8,22,24H,7H2,1H3,(H,23,25)/t8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1-mediated ERK1 phosphorylation in human HCT116 cells after 2 hrs by immunoblotting method |
J Med Chem 55: 4594-604 (2012)
Article DOI: 10.1021/jm2017094
BindingDB Entry DOI: 10.7270/Q2BP043M |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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