BDBM50187855 3-hydroxy-N-(1-hydroxypropan-2-yl)-5-(4-iodo-2-methylphenylamino)isothiazole-4-carboxamidine::CHEMBL211201

SMILES: CC(CO)NC(=N)c1c(Nc2ccc(I)cc2C)s[nH]c1=O

InChI Key: InChIKey=QMWUEMOIZNIOHW-UHFFFAOYSA-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 = 50187855   

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))	BDBM50187855 (3-hydroxy-N-(1-hydroxypropan-2-yl)-5-(4-iodo-2-met...) Show SMILES CC(CO)NC(=N)c1c(Nc2ccc(I)cc2C)s[nH]c1=O Show InChI InChI=1S/C14H17IN4O2S/c1-7-5-9(15)3-4-10(7)18-14-11(13(21)19-22-14)12(16)17-8(2)6-20/h3-5,8,18,20H,6H2,1-2H3,(H2,16,17)(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MEK1				Bioorg Med Chem Lett 16: 3975-80 (2006) Article DOI: 10.1016/j.bmcl.2006.05.019 BindingDB Entry DOI: 10.7270/Q2SJ1K6C
					More data for this Ligand-Target Pair