BDBM50355351 CHEMBL1835418

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)NO)SCCS2

InChI Key: InChIKey=UZYBKZRRUTXHEZ-SFTDATJTSA-N

Data: 2 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 2 hits for monomerid = 50355351   

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))	BDBM50355351 (CHEMBL1835418) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)NO)SCCS2 |r| Show InChI InChI=1S/C27H40N4O7S2/c1-26(2,3)38-25(36)29-20(15-18-8-10-19(32)11-9-18)24(35)31-17-27(39-13-14-40-27)16-21(31)23(34)28-12-6-4-5-7-22(33)30-37/h8-11,20-21,32,37H,4-7,12-17H2,1-3H3,(H,28,34)(H,29,36)(H,30,33)/t20-,21-/m0/s1	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	450	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in Escherichia coli using fluorogenic substrate treated for 5 mins before substrate addition measured after 30 mi...				Eur J Med Chem 46: 5387-97 (2011) Article DOI: 10.1016/j.ejmech.2011.08.045 BindingDB Entry DOI: 10.7270/Q2KP82JT
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50355351 (CHEMBL1835418) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)NO)SCCS2 |r| Show InChI InChI=1S/C27H40N4O7S2/c1-26(2,3)38-25(36)29-20(15-18-8-10-19(32)11-9-18)24(35)31-17-27(39-13-14-40-27)16-21(31)23(34)28-12-6-4-5-7-22(33)30-37/h8-11,20-21,32,37H,4-7,12-17H2,1-3H3,(H,28,34)(H,29,36)(H,30,33)/t20-,21-/m0/s1	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of human HDAC8 expressed in Escherichia coli using Boc-Lys (acetyl)-AMC as substrate treated for 5 mins before substrate addition measured...				Eur J Med Chem 46: 5387-97 (2011) Article DOI: 10.1016/j.ejmech.2011.08.045 BindingDB Entry DOI: 10.7270/Q2KP82JT
					More data for this Ligand-Target Pair