BDBM50187850 5-(4-bromophenylamino)-N-(cyclohexylmethyl)-3-hydroxyisothiazole-4-carboxamidine::CHEMBL212110

SMILES: Brc1ccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)cc1

InChI Key: InChIKey=XUOULIHLUHFOPO-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 = 50187850   

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))	BDBM50187850 (5-(4-bromophenylamino)-N-(cyclohexylmethyl)-3-hydr...) Show SMILES Brc1ccc(Nc2s[nH]c(=O)c2C(=N)NCC2CCCCC2)cc1 Show InChI InChI=1S/C17H21BrN4OS/c18-12-6-8-13(9-7-12)21-17-14(16(23)22-24-17)15(19)20-10-11-4-2-1-3-5-11/h6-9,11,21H,1-5,10H2,(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	430	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