BDBM50014409 CHEMBL3261155

SMILES: Cc1ncc(Nc2ccc(I)cc2F)c(n1)C(=O)N[C@@H]1CCC[C@@H](O)[C@H]1O

InChI Key: InChIKey=SXSCQJPLJJVMHC-UNEWFSDZSA-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 = 50014409   

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 (Homo sapiens (Human))	BDBM50014409 (CHEMBL3261155) Show SMILES Cc1ncc(Nc2ccc(I)cc2F)c(n1)C(=O)N[C@@H]1CCC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H20FIN4O3/c1-9-21-8-14(23-12-6-5-10(20)7-11(12)19)16(22-9)18(27)24-13-3-2-4-15(25)17(13)26/h5-8,13,15,17,23,25-26H,2-4H2,1H3,(H,24,27)/t13-,15-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	773	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin)				Bioorg Med Chem Lett 24: 2555-9 (2014) Article DOI: 10.1016/j.bmcl.2014.03.086 BindingDB Entry DOI: 10.7270/Q2PG1T73
					More data for this Ligand-Target Pair