BDBM50194047 5-4-benzoylphenylamino)-3-hydroxy-N-1-hydroxypropan-2-yl)isothiazole-4-carboximidamide::CHEMBL217130

SMILES: CC(CO)N=C(N)c1c(Nc2ccc(cc2)C(=O)c2ccccc2)s[nH]c1=O

InChI Key: InChIKey=OKSIMJXRMXZJTO-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 = 50194047   

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))	BDBM50194047 (5-4-benzoylphenylamino)-3-hydroxy-N-1-hydroxypropa...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(cc2)C(=O)c2ccccc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H20N4O3S/c1-12(11-25)22-18(21)16-19(27)24-28-20(16)23-15-9-7-14(8-10-15)17(26)13-5-3-2-4-6-13/h2-10,12,23,25H,11H2,1H3,(H2,21,22)(H,24,27)	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	100	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))	BDBM50194047 (5-4-benzoylphenylamino)-3-hydroxy-N-1-hydroxypropa...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(cc2)C(=O)c2ccccc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H20N4O3S/c1-12(11-25)22-18(21)16-19(27)24-28-20(16)23-15-9-7-14(8-10-15)17(26)13-5-3-2-4-6-13/h2-10,12,23,25H,11H2,1H3,(H2,21,22)(H,24,27)	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	120	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