BDBM50430973 CHEMBL2337864

SMILES: Oc1cccn(Cc2ccc(cc2)-c2ccncc2)c1=S

InChI Key: InChIKey=DMRCMNDKMGYLTJ-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 = 50430973   

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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50430973 (CHEMBL2337864) Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccncc2)c1=S Show InChI InChI=1S/C17H14N2OS/c20-16-2-1-11-19(17(16)21)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h1-11,20H,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20E+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
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50430973 (CHEMBL2337864) Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccncc2)c1=S Show InChI InChI=1S/C17H14N2OS/c20-16-2-1-11-19(17(16)21)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h1-11,20H,12H2	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	2.78E+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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50430973 (CHEMBL2337864) Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccncc2)c1=S Show InChI InChI=1S/C17H14N2OS/c20-16-2-1-11-19(17(16)21)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h1-11,20H,12H2	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (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))	BDBM50430973 (CHEMBL2337864) Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccncc2)c1=S Show InChI InChI=1S/C17H14N2OS/c20-16-2-1-11-19(17(16)21)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h1-11,20H,12H2	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	2.78E+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