BDBM50235295 CHEMBL4092997
SMILES: CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1
InChI Key: InChIKey=SDUPMHRZOIKWFI-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50235295 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 |
Cereblon/Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50235295
(CHEMBL4092997)Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H33N7O3/c1-3-27(4-2)14-12-22-21(30)18-11-10-17(15-23-18)19-16-28(26-24-19)13-8-6-5-7-9-20(29)25-31/h10-11,15-16,31H,3-9,12-14H2,1-2H3,(H,22,30)(H,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 34 | 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) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50235295
(CHEMBL4092997)Show SMILES CCN(CC)CCNC(=O)c1ccc(cn1)-c1cn(CCCCCCC(=O)NO)nn1 Show InChI InChI=1S/C21H33N7O3/c1-3-27(4-2)14-12-22-21(30)18-11-10-17(15-23-18)19-16-28(26-24-19)13-8-6-5-7-9-20(29)25-31/h10-11,15-16,31H,3-9,12-14H2,1-2H3,(H,22,30)(H,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 27: 744-749 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.044 BindingDB Entry DOI: 10.7270/Q25B04R4 |
More data for this Ligand-Target Pair | |