BDBM50194049 5-4-3-dimethylamino)phenoxy)phenylamino)-3-hydroxy-N-1-hydroxypropan-2-yl)isothiazole-4-carboximidamide::CHEMBL413636

SMILES: CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3)N(C)C)cc2)s[nH]c1=O

InChI Key: InChIKey=YQOSUPPNKSFLNF-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 = 50194049   

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))	BDBM50194049 (5-4-3-dimethylamino)phenoxy)phenylamino)-3-hydroxy...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3)N(C)C)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C21H25N5O3S/c1-13(12-27)23-19(22)18-20(28)25-30-21(18)24-14-7-9-16(10-8-14)29-17-6-4-5-15(11-17)26(2)3/h4-11,13,24,27H,12H2,1-3H3,(H2,22,23)(H,25,28)	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	160	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))	BDBM50194049 (5-4-3-dimethylamino)phenoxy)phenylamino)-3-hydroxy...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3)N(C)C)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C21H25N5O3S/c1-13(12-27)23-19(22)18-20(28)25-30-21(18)24-14-7-9-16(10-8-14)29-17-6-4-5-15(11-17)26(2)3/h4-11,13,24,27H,12H2,1-3H3,(H2,22,23)(H,25,28)	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	130	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