BDBM41562 US8871728, 167d

SMILES: Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S

InChI Key: InChIKey=MWWPUWNORLBEJX-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 = 41562   

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 6 (Homo sapiens (Human))	BDBM41562 (US8871728, 167d) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S Show InChI InChI=1S/C19H26N6O2/c1-15-11-17(22-27-15)19(26)25-6-2-3-16(14-25)13-23-7-9-24(10-8-23)18-12-20-4-5-21-18/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	905	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 6 (Homo sapiens (Human))	BDBM41562 (US8871728, 167d) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S Show InChI InChI=1S/C19H26N6O2/c1-15-11-17(22-27-15)19(26)25-6-2-3-16(14-25)13-23-7-9-24(10-8-23)18-12-20-4-5-21-18/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	905	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) expressed in Escherichia coli BL21 (DE3) using GRKacYGC as substrate after 60 mins by SAMDI mass spectrometric a...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41562 (US8871728, 167d) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S Show InChI InChI=1S/C19H26N6O2/c1-15-11-17(22-27-15)19(26)25-6-2-3-16(14-25)13-23-7-9-24(10-8-23)18-12-20-4-5-21-18/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+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 catalytic domain (unknown origin) expressed in Escherichia coli BL21 (DE3) using GRKacFGC as substrate after 60 mins by SAMDI mas...				J Med Chem 56: 9969-81 (2013) Article DOI: 10.1021/jm401225q BindingDB Entry DOI: 10.7270/Q2W95D4F
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM41562 (US8871728, 167d) Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S Show InChI InChI=1S/C19H26N6O2/c1-15-11-17(22-27-15)19(26)25-6-2-3-16(14-25)13-23-7-9-24(10-8-23)18-12-20-4-5-21-18/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.47E+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