BDBM55151 1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-ethanone::2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one::2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one::2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one::2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one::CHEMBL209453::MLS001212148::SMR000518041::cid_687937

SMILES: Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1

InChI Key: InChIKey=GYSSMOSVLZXNJL-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 55151   

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
M18 aspartyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24B2ZQ2
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20K2704
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC5 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Inhibition of Hsp90 by recombinant ATPase assay				Bioorg Med Chem Lett 16: 3005-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.063 BindingDB Entry DOI: 10.7270/Q2W37VXT
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC4 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC7 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC8 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC9 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC2 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM55151 (1-(3,4-Dihydroxy-phenyl)-2-(4-hydroxy-6-methyl-pyr...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1 Show InChI InChI=1S/C13H12N2O4S/c1-7-4-12(19)15-13(14-7)20-6-11(18)8-2-3-9(16)10(17)5-8/h2-5,16-17H,6H2,1H3,(H,14,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC6 assessed as inhibition of fluorogenic aminocoumarin release from substrate by trypsin-coupled biochemical assay				Bioorg Med Chem Lett 21: 4164-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.098 BindingDB Entry DOI: 10.7270/Q20P10CT
					More data for this Ligand-Target Pair