BDBM50020897 CHEMBL3287255::US9216962, CFH367-C
SMILES: ONC(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
InChI Key: InChIKey=MVJAEZIEZVJAFM-UHFFFAOYSA-N
Data: 13 IC50
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)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | 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 | 65 | 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)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | 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 | 262 | 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)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | 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 | 785 | 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 1 (Homo sapiens (Human)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | 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 | 70 | 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)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | 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 | 260 | 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)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | 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 | 790 | 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 3 (Homo sapiens (Human)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant His6/GST-tagged human HDAC3 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a... | J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC3 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr... | Eur J Med Chem 112: 81-90 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC4 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr... | Eur J Med Chem 112: 81-90 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC6 expressed in High5 insect cells using Boc-Lys (e-acetyl)-AMC as substrate aft... | Eur J Med Chem 112: 81-90 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | 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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant His6/GST-tagged human HDAC6 expressed in baculovirus infected High5 insect cells using Boc-Lys(epsion-acetyl)-AMC as substr... | J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | 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 | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a... | J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50020897 (CHEMBL3287255 | US9216962, CFH367-C) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition of full length His6-tagged GST-fused recombinant human HDAC1 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr... | Eur J Med Chem 112: 81-90 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ | |||||||||||
More data for this Ligand-Target Pair |