BDBM50020889 CHEMBL3287023::US9216962, CFH326

SMILES: ONC(=O)CCCCNC(=O)c1csc(n1)-c1nccs1

InChI Key: InChIKey=ZFGHUXHZSKBOPL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50020889   

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))	BDBM50020889 (CHEMBL3287023 | US9216962, CFH326) Show SMILES ONC(=O)CCCCNC(=O)c1csc(n1)-c1nccs1 Show InChI InChI=1S/C12H14N4O3S2/c17-9(16-19)3-1-2-4-13-10(18)8-7-21-12(15-8)11-14-5-6-20-11/h5-7,19H,1-4H2,(H,13,18)(H,16,17)	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	212	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))	BDBM50020889 (CHEMBL3287023 | US9216962, CFH326) Show SMILES ONC(=O)CCCCNC(=O)c1csc(n1)-c1nccs1 Show InChI InChI=1S/C12H14N4O3S2/c17-9(16-19)3-1-2-4-13-10(18)8-7-21-12(15-8)11-14-5-6-20-11/h5-7,19H,1-4H2,(H,13,18)(H,16,17)	PDB 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	107	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50020889 (CHEMBL3287023 | US9216962, CFH326) Show SMILES ONC(=O)CCCCNC(=O)c1csc(n1)-c1nccs1 Show InChI InChI=1S/C12H14N4O3S2/c17-9(16-19)3-1-2-4-13-10(18)8-7-21-12(15-8)11-14-5-6-20-11/h5-7,19H,1-4H2,(H,13,18)(H,16,17)	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	1.10E+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))	BDBM50020889 (CHEMBL3287023 | US9216962, CFH326) Show SMILES ONC(=O)CCCCNC(=O)c1csc(n1)-c1nccs1 Show InChI InChI=1S/C12H14N4O3S2/c17-9(16-19)3-1-2-4-13-10(18)8-7-21-12(15-8)11-14-5-6-20-11/h5-7,19H,1-4H2,(H,13,18)(H,16,17)	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	210	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))	BDBM50020889 (CHEMBL3287023 | US9216962, CFH326) Show SMILES ONC(=O)CCCCNC(=O)c1csc(n1)-c1nccs1 Show InChI InChI=1S/C12H14N4O3S2/c17-9(16-19)3-1-2-4-13-10(18)8-7-21-12(15-8)11-14-5-6-20-11/h5-7,19H,1-4H2,(H,13,18)(H,16,17)	PDB 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	110	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50020889 (CHEMBL3287023 | US9216962, CFH326) Show SMILES ONC(=O)CCCCNC(=O)c1csc(n1)-c1nccs1 Show InChI InChI=1S/C12H14N4O3S2/c17-9(16-19)3-1-2-4-13-10(18)8-7-21-12(15-8)11-14-5-6-20-11/h5-7,19H,1-4H2,(H,13,18)(H,16,17)	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	1.11E+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