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SMILES: CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)N[C@@H]3CCNC3)c2C1

InChI Key: InChIKey=CCKLGAATCPQJFO-GFCCVEGCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484550   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))		BDBM50484550
PNG
(CHEMBL1933937)
Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)N[C@@H]3CCNC3)c2C1 |r|
Show InChI InChI=1S/C21H24FIN4O2S/c1-21(2)8-13-16(18(28)26-12-5-6-24-9-12)20(30-17(13)19(29)25-10-21)27-15-4-3-11(23)7-14(15)22/h3-4,7,12,24,27H,5-6,8-10H2,1-2H3,(H,25,29)(H,26,28)/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Inhibition of human MEK using fluorescein-labelled Erk-tide as substrate after 20 mins by IMAP assay

Bioorg Med Chem Lett 22: 472-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.105
BindingDB Entry DOI: 10.7270/Q28G8PJD
More data for this
Ligand-Target Pair