Found 6 hits for monomerid = 50465081 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 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human HeLa cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068 BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human K562 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068 BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this Ligand-Target Pair | |
Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 5.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human A549 cells using Boc-K(Ac)-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068 BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Mus musculus) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50465081
(CHEMBL4294122)Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1 Show InChI InChI=1S/C30H41N7O4/c1-41-24-12-13-25-26(20-24)34-30(32-17-16-31-27(38)10-6-3-7-11-28(39)36-40)35-29(25)33-23-14-18-37(19-15-23)21-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20,23,40H,3,6-7,10-11,14-19,21H2,1H3,(H,31,38)(H,36,39)(H2,32,33,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Usona Institute
Curated by ChEMBL
| Assay Description Inhibition of G9a in human MDA-MB-231 cells assessed as reduction in H3K9me2 level after 2 days by immunofluorescence in-cell western analysis |
ACS Med Chem Lett 9: 167-168 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00068 BindingDB Entry DOI: 10.7270/Q2W098MG |
More data for this Ligand-Target Pair | |