BDBM50351945 CHEMBL1822046

SMILES: CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2ccc(=O)oc12

InChI Key: InChIKey=KEVRYVQWWIUOTN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50351945   

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))	BDBM50351945 (CHEMBL1822046) Show SMILES CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2ccc(=O)oc12 Show InChI InChI=1S/C21H29NO5/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/h9-10,12-13,15,25H,3-8,11,14H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32.3	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50351945 (CHEMBL1822046) Show SMILES CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2ccc(=O)oc12 Show InChI InChI=1S/C21H29NO5/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/h9-10,12-13,15,25H,3-8,11,14H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15.2	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))	BDBM50351945 (CHEMBL1822046) Show SMILES CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2ccc(=O)oc12 Show InChI InChI=1S/C21H29NO5/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/h9-10,12-13,15,25H,3-8,11,14H2,1-2H3,(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))	BDBM50351945 (CHEMBL1822046) Show SMILES CC(C)CCc1c(OCCCCCCC(=O)NO)ccc2ccc(=O)oc12 Show InChI InChI=1S/C21H29NO5/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/h9-10,12-13,15,25H,3-8,11,14H2,1-2H3,(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	553	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