BDBM50194031 5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-4-methylpiperazin-1-yl)isothiazole-4-carboximidamide::CHEMBL383858

SMILES: CN1CCN(CC1)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O

InChI Key: InChIKey=SLMHAJUPXRCWGQ-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 = 50194031   

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))	BDBM50194031 (5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-4...) Show SMILES CN1CCN(CC1)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:7.7| Show InChI InChI=1S/C21H22Cl2N6O2S/c1-28-8-10-29(11-9-28)26-19(24)18-20(30)27-32-21(18)25-14-3-5-15(6-4-14)31-17-12-13(22)2-7-16(17)23/h2-7,12,25H,8-11H2,1H3,(H2,24,26)(H,27,30)	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	113	n/a	n/a	n/a	n/a
Valeant Pharmaceuticals Research & Development Curated by ChEMBL					Assay Description Inhibitory activity against MEK-1				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))	BDBM50194031 (5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-4...) Show SMILES CN1CCN(CC1)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:7.7| Show InChI InChI=1S/C21H22Cl2N6O2S/c1-28-8-10-29(11-9-28)26-19(24)18-20(30)27-32-21(18)25-14-3-5-15(6-4-14)31-17-12-13(22)2-7-16(17)23/h2-7,12,25H,8-11H2,1H3,(H2,24,26)(H,27,30)	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	34	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