BDBM50020899 CHEMBL3287257::US9216962, CFH403

SMILES: ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1)-c1nccs1

InChI Key: InChIKey=LOSDIZSZRWZVJP-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 = 50020899   

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))	BDBM50020899 (CHEMBL3287257 | US9216962, CFH403) Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1)-c1nccs1 Show InChI InChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)	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	114	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))	BDBM50020899 (CHEMBL3287257 | US9216962, CFH403) Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1)-c1nccs1 Show InChI InChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)	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	377	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))	BDBM50020899 (CHEMBL3287257 | US9216962, CFH403) Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1)-c1nccs1 Show InChI InChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)	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	470	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))	BDBM50020899 (CHEMBL3287257 | US9216962, CFH403) Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1)-c1nccs1 Show InChI InChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)	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	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 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))	BDBM50020899 (CHEMBL3287257 | US9216962, CFH403) Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1)-c1nccs1 Show InChI InChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)	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	380	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))	BDBM50020899 (CHEMBL3287257 | US9216962, CFH403) Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1)-c1nccs1 Show InChI InChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)	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	467	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