BDBM50187860 CHEMBL209520::N-(cyclohexylmethyl)-5-(2-fluorophenylamino)-3-hydroxyisothiazole-4-carboxamidine

SMILES: Fc1ccccc1Nc1s[nH]c(=O)c1C(=N)NCC1CCCCC1

InChI Key: InChIKey=CAFSCBMJZJHLFL-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 = 50187860   

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))	BDBM50187860 (CHEMBL209520 | N-(cyclohexylmethyl)-5-(2-fluorophe...) Show SMILES Fc1ccccc1Nc1s[nH]c(=O)c1C(=N)NCC1CCCCC1 Show InChI InChI=1S/C17H21FN4OS/c18-12-8-4-5-9-13(12)21-17-14(16(23)22-24-17)15(19)20-10-11-6-2-1-3-7-11/h4-5,8-9,11,21H,1-3,6-7,10H2,(H2,19,20)(H,22,23)	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	1.45E+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