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SMILES: CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2CCC(=O)Oc12

InChI Key: InChIKey=LNONTANPNYDPKB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50351946   

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 1 (Homo sapiens (Human))	BDBM50351946 (CHEMBL1822050) Show SMILES CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2CCC(=O)Oc12 Show InChI InChI=1S/C21H31NO5/c1-15(2)8-11-17-18(12-9-16-10-13-20(24)27-21(16)17)26-14-6-4-3-5-7-19(23)22-25/h9,12,15,25H,3-8,10-11,13-14H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	52.7	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC1 using KI-177 as substrate incubated 30 mins before substrate addition measured after 30 mins post substrate addition by fluoresce...				Eur J Med Chem 46: 4042-9 (2011) Article DOI: 10.1016/j.ejmech.2011.06.002 BindingDB Entry DOI: 10.7270/Q2ZS2WWD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50351946 (CHEMBL1822050) Show SMILES CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2CCC(=O)Oc12 Show InChI InChI=1S/C21H31NO5/c1-15(2)8-11-17-18(12-9-16-10-13-20(24)27-21(16)17)26-14-6-4-3-5-7-19(23)22-25/h9,12,15,25H,3-8,10-11,13-14H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40.0	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC6 using Boc-Lys(Ac)-AMC as substrate incubated 30 mins before substrate addition measured after 30 mins post substrate addition by ...				Eur J Med Chem 46: 4042-9 (2011) Article DOI: 10.1016/j.ejmech.2011.06.002 BindingDB Entry DOI: 10.7270/Q2ZS2WWD
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50351946 (CHEMBL1822050) Show SMILES CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2CCC(=O)Oc12 Show InChI InChI=1S/C21H31NO5/c1-15(2)8-11-17-18(12-9-16-10-13-20(24)27-21(16)17)26-14-6-4-3-5-7-19(23)22-25/h9,12,15,25H,3-8,10-11,13-14H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC4 using Boc-Lys(TFA)-AMC as substrate incubated 30 mins before substrate addition measured after 30 mins post substrate addition by...				Eur J Med Chem 46: 4042-9 (2011) Article DOI: 10.1016/j.ejmech.2011.06.002 BindingDB Entry DOI: 10.7270/Q2ZS2WWD
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50351946 (CHEMBL1822050) Show SMILES CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2CCC(=O)Oc12 Show InChI InChI=1S/C21H31NO5/c1-15(2)8-11-17-18(12-9-16-10-13-20(24)27-21(16)17)26-14-6-4-3-5-7-19(23)22-25/h9,12,15,25H,3-8,10-11,13-14H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC8 using Boc-Lys(TFA)-AMC as substrate incubated 30 mins before substrate addition measured after 30 mins post substrate addit...				Eur J Med Chem 46: 4042-9 (2011) Article DOI: 10.1016/j.ejmech.2011.06.002 BindingDB Entry DOI: 10.7270/Q2ZS2WWD
					More data for this Ligand-Target Pair