BDBM50194059 5-4-2-chloro-3-trifluoromethyl)phenoxy)-3-fluorophenylamino)-3-hydroxy-N-1-hydroxypropan-2-yl)isothiazole-4-carboximidamide::CHEMBL217414

SMILES: CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3Cl)C(F)(F)F)c(F)c2)s[nH]c1=O

InChI Key: InChIKey=FZBHRCOPPUGRFO-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50194059   

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))	BDBM50194059 (5-4-2-chloro-3-trifluoromethyl)phenoxy)-3-fluoroph...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3Cl)C(F)(F)F)c(F)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H17ClF4N4O3S/c1-9(8-30)27-17(26)15-18(31)29-33-19(15)28-10-5-6-13(12(22)7-10)32-14-4-2-3-11(16(14)21)20(23,24)25/h2-7,9,28,30H,8H2,1H3,(H2,26,27)(H,29,31)	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Valeant Pharmaceuticals Research & Development Curated by ChEMBL					Assay Description Inhibition of MEK-1 activity				Bioorg Med Chem Lett 16: 5561-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.048 BindingDB Entry DOI: 10.7270/Q2J38S5D
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50194059 (5-4-2-chloro-3-trifluoromethyl)phenoxy)-3-fluoroph...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3Cl)C(F)(F)F)c(F)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H17ClF4N4O3S/c1-9(8-30)27-17(26)15-18(31)29-33-19(15)28-10-5-6-13(12(22)7-10)32-14-4-2-3-11(16(14)21)20(23,24)25/h2-7,9,28,30H,8H2,1H3,(H2,26,27)(H,29,31)	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	n/a	n/a	88	n/a	n/a	n/a	n/a
Valeant Pharmaceuticals Research & Development Curated by ChEMBL					Assay Description Inhibition of MEK-1 activity				Bioorg Med Chem Lett 16: 5561-6 (2006) Article DOI: 10.1016/j.bmcl.2006.08.048 BindingDB Entry DOI: 10.7270/Q2J38S5D
					More data for this Ligand-Target Pair