BDBM50194021 5-4-2-chloro-5-fluorophenoxy)phenylamino)-3-hydroxy-N-1-hydroxypropan-2-yl)isothiazole-4-carboximidamide::CHEMBL214425

SMILES: CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)cc2)s[nH]c1=O

InChI Key: InChIKey=BVHXOOCYCBUUNM-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 = 50194021   

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))	BDBM50194021 (5-4-2-chloro-5-fluorophenoxy)phenylamino)-3-hydrox...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18ClFN4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-8-11(21)2-7-14(15)20/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)	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	260	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))	BDBM50194021 (5-4-2-chloro-5-fluorophenoxy)phenylamino)-3-hydrox...) Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18ClFN4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-8-11(21)2-7-14(15)20/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27)	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	80	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