BDBM50430984 CHEMBL2337871

SMILES: Oc1cccn(Cc2ccc(cc2)-c2cccc(c2)C#N)c1=S

InChI Key: InChIKey=DYWIALGSZUWFNZ-UHFFFAOYSA-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 = 50430984   

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 8 (Homo sapiens (Human))	BDBM50430984 (CHEMBL2337871) Show SMILES Oc1cccn(Cc2ccc(cc2)-c2cccc(c2)C#N)c1=S Show InChI InChI=1S/C19H14N2OS/c20-12-15-3-1-4-17(11-15)16-8-6-14(7-9-16)13-21-10-2-5-18(22)19(21)23/h1-11,22H,13H2	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 60 mins by SAMDI spectrophotometric analysis				J Med Chem 56: 3492-506 (2013) Article DOI: 10.1021/jm301769u BindingDB Entry DOI: 10.7270/Q29C6ZSC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50430984 (CHEMBL2337871) Show SMILES Oc1cccn(Cc2ccc(cc2)-c2cccc(c2)C#N)c1=S Show InChI InChI=1S/C19H14N2OS/c20-12-15-3-1-4-17(11-15)16-8-6-14(7-9-16)13-21-10-2-5-18(22)19(21)23/h1-11,22H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	25
Georgia Tech Research Corporation US Patent					Assay Description Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....				US Patent US8871728 (2014) BindingDB Entry DOI: 10.7270/Q29885R4
					More data for this Ligand-Target Pair