BDBM50144214 CHEMBL3759322

SMILES: SCCCCCCNC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12

InChI Key: InChIKey=QTJRTUWSBZMZMT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50144214   

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 (Homo sapiens (Human))	BDBM50144214 (CHEMBL3759322) Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C18H22N4OS/c23-18(19-9-5-1-2-6-10-24)17-11-16(21-22-17)14-12-20-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,20,24H,1-2,5-6,9-10H2,(H,19,23)(H,21,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...				Eur J Med Chem 109: 350-9 (2016) BindingDB Entry DOI: 10.7270/Q20C4XM5
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50144214 (CHEMBL3759322) Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C18H22N4OS/c23-18(19-9-5-1-2-6-10-24)17-11-16(21-22-17)14-12-20-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,20,24H,1-2,5-6,9-10H2,(H,19,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...				Eur J Med Chem 109: 350-9 (2016) BindingDB Entry DOI: 10.7270/Q20C4XM5
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50144214 (CHEMBL3759322) Show SMILES SCCCCCCNC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C18H22N4OS/c23-18(19-9-5-1-2-6-10-24)17-11-16(21-22-17)14-12-20-15-8-4-3-7-13(14)15/h3-4,7-8,11-12,20,24H,1-2,5-6,9-10H2,(H,19,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...				Eur J Med Chem 109: 350-9 (2016) BindingDB Entry DOI: 10.7270/Q20C4XM5
					More data for this Ligand-Target Pair