BDBM46249 (4E)-4-[(cyclohexylamino)-mercapto-methylene]-2-methoxy-cyclohexa-2,5-dien-1-one::(4E)-4-[(cyclohexylamino)-mercaptomethylidene]-2-methoxy-1-cyclohexa-2,5-dienone::(4E)-4-[(cyclohexylamino)-sulfanyl-methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one::(4E)-4-[(cyclohexylamino)-sulfanylmethylidene]-2-methoxycyclohexa-2,5-dien-1-one::MLS-0412117.0001::cid_5504142

SMILES: COc1cc(ccc1O)C(=S)NC1CCCCC1

InChI Key: InChIKey=DCXGIVFPYWVAGY-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 = 46249   

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))	BDBM46249 ((4E)-4-[(cyclohexylamino)-mercapto-methylene]-2-me...) Show SMILES COc1cc(ccc1O)C(=S)NC1CCCCC1 Show InChI InChI=1S/C14H19NO2S/c1-17-13-9-10(7-8-12(13)16)14(18)15-11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,18)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.54E+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))	BDBM46249 ((4E)-4-[(cyclohexylamino)-mercapto-methylene]-2-me...) Show SMILES COc1cc(ccc1O)C(=S)NC1CCCCC1 Show InChI InChI=1S/C14H19NO2S/c1-17-13-9-10(7-8-12(13)16)14(18)15-11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.25E+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))	BDBM46249 ((4E)-4-[(cyclohexylamino)-mercapto-methylene]-2-me...) Show SMILES COc1cc(ccc1O)C(=S)NC1CCCCC1 Show InChI InChI=1S/C14H19NO2S/c1-17-13-9-10(7-8-12(13)16)14(18)15-11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.40E+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))	BDBM46249 ((4E)-4-[(cyclohexylamino)-mercapto-methylene]-2-me...) Show SMILES COc1cc(ccc1O)C(=S)NC1CCCCC1 Show InChI InChI=1S/C14H19NO2S/c1-17-13-9-10(7-8-12(13)16)14(18)15-11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,18)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.82E+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))	BDBM46249 ((4E)-4-[(cyclohexylamino)-mercapto-methylene]-2-me...) Show SMILES COc1cc(ccc1O)C(=S)NC1CCCCC1 Show InChI InChI=1S/C14H19NO2S/c1-17-13-9-10(7-8-12(13)16)14(18)15-11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem 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