BDBM46251 (4E)-4-[diethylamino(mercapto)methylene]-2-methoxy-cyclohexa-2,5-dien-1-one::(4E)-4-[diethylamino(mercapto)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone::(4E)-4-[diethylamino(sulfanyl)methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one::(4E)-4-[diethylamino(sulfanyl)methylidene]-2-methoxycyclohexa-2,5-dien-1-one::MLS-0412120.0001::cid_44182133

SMILES: CCN(CC)C(=S)c1ccc(O)c(OC)c1

InChI Key: InChIKey=PHZWCFWNUOZRND-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 46251   

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
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46251 ((4E)-4-[diethylamino(mercapto)methylene]-2-methoxy...) Show SMILES CCN(CC)C(=S)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C12H17NO2S/c1-4-13(5-2)12(16)9-6-7-10(14)11(8-9)15-3/h6-8,14H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46251 ((4E)-4-[diethylamino(mercapto)methylene]-2-methoxy...) Show SMILES CCN(CC)C(=S)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C12H17NO2S/c1-4-13(5-2)12(16)9-6-7-10(14)11(8-9)15-3/h6-8,14H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DB807Z
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46251 ((4E)-4-[diethylamino(mercapto)methylene]-2-methoxy...) Show SMILES CCN(CC)C(=S)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C12H17NO2S/c1-4-13(5-2)12(16)9-6-7-10(14)11(8-9)15-3/h6-8,14H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	5.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2WW7G20
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46251 ((4E)-4-[diethylamino(mercapto)methylene]-2-methoxy...) Show SMILES CCN(CC)C(=S)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C12H17NO2S/c1-4-13(5-2)12(16)9-6-7-10(14)11(8-9)15-3/h6-8,14H,4-5H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21N7ZJW
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46251 ((4E)-4-[diethylamino(mercapto)methylene]-2-methoxy...) Show SMILES CCN(CC)C(=S)c1ccc(O)c(OC)c1 Show InChI InChI=1S/C12H17NO2S/c1-4-13(5-2)12(16)9-6-7-10(14)11(8-9)15-3/h6-8,14H,4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28K77H7
					More data for this Ligand-Target Pair