BDBM50484545 CHEMBL1933935

SMILES: CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NOC[C@H](O)CO)c2C1

InChI Key: InChIKey=OBWAXLNPVMNAMM-LLVKDONJSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484545   

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 1/2 (Homo sapiens (Human))	BDBM50484545 (CHEMBL1933935) Show SMILES CC1(C)CNC(=O)c2sc(Nc3ccc(I)cc3F)c(C(=O)NOC[C@H](O)CO)c2C1 |r| Show InChI InChI=1S/C20H23FIN3O5S/c1-20(2)6-12-15(17(28)25-30-8-11(27)7-26)19(31-16(12)18(29)23-9-20)24-14-4-3-10(22)5-13(14)21/h3-5,11,24,26-27H,6-9H2,1-2H3,(H,23,29)(H,25,28)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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