BDBM50348390 CHEMBL1800243

SMILES: COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1

InChI Key: InChIKey=XIMLQEFHZGPEAB-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50348390   

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
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50348390 (CHEMBL1800243) Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50348390 (CHEMBL1800243) Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 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
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50348390 (CHEMBL1800243) Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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))	BDBM50348390 (CHEMBL1800243) Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 4 (Homo sapiens (Human))	BDBM50348390 (CHEMBL1800243) Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 1 (Homo sapiens (Human))	BDBM50348390 (CHEMBL1800243) Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50348390 (CHEMBL1800243) Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50348390 (CHEMBL1800243) Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 9 (Homo sapiens (Human))	BDBM50348390 (CHEMBL1800243) Show SMILES COc1cc(C)nc(SCC(=O)c2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C16H17N3O3S/c1-10-8-15(22-3)19-16(17-10)23-9-14(21)12-4-6-13(7-5-12)18-11(2)20/h4-8H,9H2,1-3H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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