BDBM50187809 5-(p-toluidino)-3-hydroxy-N-(piperidin-1-yl)isothiazole-4-carboxamidine::CHEMBL213797

SMILES: Cc1ccc(Nc2s[nH]c(=O)c2C(N)=NN2CCCCC2)cc1

InChI Key: InChIKey=HURUMXKLHKIJMU-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 = 50187809   

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))	BDBM50187809 (5-(p-toluidino)-3-hydroxy-N-(piperidin-1-yl)isothi...) Show SMILES Cc1ccc(Nc2s[nH]c(=O)c2C(N)=NN2CCCCC2)cc1 |w:14.15| Show InChI InChI=1S/C16H21N5OS/c1-11-5-7-12(8-6-11)18-16-13(15(22)20-23-16)14(17)19-21-9-3-2-4-10-21/h5-8,18H,2-4,9-10H2,1H3,(H2,17,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	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