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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50014412   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50014412
PNG
(PIMASERTIB | Pimasertib)
Show SMILES OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50014412
PNG
(PIMASERTIB | Pimasertib)
Show SMILES OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F
Show InChI InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


Bioorg Med Chem Lett 24: 2555-9 (2014)

More data for this
Ligand-Target Pair