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SMILES: Cc1nc(cs1)-c1nc(cs1)C(=O)NCCCCC(=O)NO

InChI Key: InChIKey=YHULCWIEZUPPSB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50020885   

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))	BDBM50020885 (CHEMBL3287022 | US9216962, CFH340-4) Show SMILES Cc1nc(cs1)-c1nc(cs1)C(=O)NCCCCC(=O)NO Show InChI InChI=1S/C13H16N4O3S2/c1-8-15-10(7-21-8)13-16-9(6-22-13)12(19)14-5-3-2-4-11(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	535	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Puyi Chemical Co., Ltd. US Patent					Assay Description Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...				US Patent US9216962 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7G3F
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50020885 (CHEMBL3287022 | US9216962, CFH340-4) Show SMILES Cc1nc(cs1)-c1nc(cs1)C(=O)NCCCCC(=O)NO Show InChI InChI=1S/C13H16N4O3S2/c1-8-15-10(7-21-8)13-16-9(6-22-13)12(19)14-5-3-2-4-11(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	615	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Puyi Chemical Co., Ltd. US Patent					Assay Description Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...				US Patent US9216962 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7G3F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50020885 (CHEMBL3287022 | US9216962, CFH340-4) Show SMILES Cc1nc(cs1)-c1nc(cs1)C(=O)NCCCCC(=O)NO Show InChI InChI=1S/C13H16N4O3S2/c1-8-15-10(7-21-8)13-16-9(6-22-13)12(19)14-5-3-2-4-11(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Boc-Lys(epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50020885 (CHEMBL3287022 | US9216962, CFH340-4) Show SMILES Cc1nc(cs1)-c1nc(cs1)C(=O)NCCCCC(=O)NO Show InChI InChI=1S/C13H16N4O3S2/c1-8-15-10(7-21-8)13-16-9(6-22-13)12(19)14-5-3-2-4-11(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50020885 (CHEMBL3287022 | US9216962, CFH340-4) Show SMILES Cc1nc(cs1)-c1nc(cs1)C(=O)NCCCCC(=O)NO Show InChI InChI=1S/C13H16N4O3S2/c1-8-15-10(7-21-8)13-16-9(6-22-13)12(19)14-5-3-2-4-11(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Chinese National Center for Drug Screening Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay				ACS Med Chem Lett 5: 628-33 (2014) Article DOI: 10.1021/ml400470s BindingDB Entry DOI: 10.7270/Q2V40WRC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50020885 (CHEMBL3287022 | US9216962, CFH340-4) Show SMILES Cc1nc(cs1)-c1nc(cs1)C(=O)NCCCCC(=O)NO Show InChI InChI=1S/C13H16N4O3S2/c1-8-15-10(7-21-8)13-16-9(6-22-13)12(19)14-5-3-2-4-11(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Puyi Chemical Co., Ltd. US Patent					Assay Description Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...				US Patent US9216962 (2015) BindingDB Entry DOI: 10.7270/Q2QJ7G3F
					More data for this Ligand-Target Pair