Found 5 hits for monomerid = 50568206 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)) | BDBM50568206
(CHEMBL4862470)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2c3cccc2-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.31:27.28,(78.21,-22.01,;76.81,-21.36,;75.57,-22.25,;75.7,-23.79,;74.16,-21.62,;72.91,-22.51,;71.51,-21.87,;70.25,-22.75,;68.86,-22.12,;67.6,-23.01,;67.75,-24.54,;69.14,-25.19,;70.4,-24.29,;69.3,-26.71,;70.19,-27.96,;68.66,-28.1,;67.28,-27.31,;65.91,-28.1,;65.91,-29.68,;67.28,-30.48,;68.67,-29.69,;61.98,-30.85,;60.45,-30.26,;60.19,-28.64,;61.47,-27.61,;61.21,-26,;59.75,-25.61,;60.77,-26.76,;62.28,-26.46,;62.77,-25,;61.74,-23.85,;60.24,-24.16,;59.22,-22.99,;59.72,-21.52,;61.21,-21.24,;62.24,-22.39,;63.74,-22.09,;64.38,-20.69,;65.91,-20.86,;66.21,-22.37,;64.87,-23.12,)| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HDAC1 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50568206
(CHEMBL4862470)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2c3cccc2-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.31:27.28,(78.21,-22.01,;76.81,-21.36,;75.57,-22.25,;75.7,-23.79,;74.16,-21.62,;72.91,-22.51,;71.51,-21.87,;70.25,-22.75,;68.86,-22.12,;67.6,-23.01,;67.75,-24.54,;69.14,-25.19,;70.4,-24.29,;69.3,-26.71,;70.19,-27.96,;68.66,-28.1,;67.28,-27.31,;65.91,-28.1,;65.91,-29.68,;67.28,-30.48,;68.67,-29.69,;61.98,-30.85,;60.45,-30.26,;60.19,-28.64,;61.47,-27.61,;61.21,-26,;59.75,-25.61,;60.77,-26.76,;62.28,-26.46,;62.77,-25,;61.74,-23.85,;60.24,-24.16,;59.22,-22.99,;59.72,-21.52,;61.21,-21.24,;62.24,-22.39,;63.74,-22.09,;64.38,-20.69,;65.91,-20.86,;66.21,-22.37,;64.87,-23.12,)| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HDAC2 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50568206
(CHEMBL4862470)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2c3cccc2-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.31:27.28,(78.21,-22.01,;76.81,-21.36,;75.57,-22.25,;75.7,-23.79,;74.16,-21.62,;72.91,-22.51,;71.51,-21.87,;70.25,-22.75,;68.86,-22.12,;67.6,-23.01,;67.75,-24.54,;69.14,-25.19,;70.4,-24.29,;69.3,-26.71,;70.19,-27.96,;68.66,-28.1,;67.28,-27.31,;65.91,-28.1,;65.91,-29.68,;67.28,-30.48,;68.67,-29.69,;61.98,-30.85,;60.45,-30.26,;60.19,-28.64,;61.47,-27.61,;61.21,-26,;59.75,-25.61,;60.77,-26.76,;62.28,-26.46,;62.77,-25,;61.74,-23.85,;60.24,-24.16,;59.22,-22.99,;59.72,-21.52,;61.21,-21.24,;62.24,-22.39,;63.74,-22.09,;64.38,-20.69,;65.91,-20.86,;66.21,-22.37,;64.87,-23.12,)| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HDAC8 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50568206
(CHEMBL4862470)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2c3cccc2-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.31:27.28,(78.21,-22.01,;76.81,-21.36,;75.57,-22.25,;75.7,-23.79,;74.16,-21.62,;72.91,-22.51,;71.51,-21.87,;70.25,-22.75,;68.86,-22.12,;67.6,-23.01,;67.75,-24.54,;69.14,-25.19,;70.4,-24.29,;69.3,-26.71,;70.19,-27.96,;68.66,-28.1,;67.28,-27.31,;65.91,-28.1,;65.91,-29.68,;67.28,-30.48,;68.67,-29.69,;61.98,-30.85,;60.45,-30.26,;60.19,-28.64,;61.47,-27.61,;61.21,-26,;59.75,-25.61,;60.77,-26.76,;62.28,-26.46,;62.77,-25,;61.74,-23.85,;60.24,-24.16,;59.22,-22.99,;59.72,-21.52,;61.21,-21.24,;62.24,-22.39,;63.74,-22.09,;64.38,-20.69,;65.91,-20.86,;66.21,-22.37,;64.87,-23.12,)| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HDAC6 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50568206
(CHEMBL4862470)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2c3cccc2-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.31:27.28,(78.21,-22.01,;76.81,-21.36,;75.57,-22.25,;75.7,-23.79,;74.16,-21.62,;72.91,-22.51,;71.51,-21.87,;70.25,-22.75,;68.86,-22.12,;67.6,-23.01,;67.75,-24.54,;69.14,-25.19,;70.4,-24.29,;69.3,-26.71,;70.19,-27.96,;68.66,-28.1,;67.28,-27.31,;65.91,-28.1,;65.91,-29.68,;67.28,-30.48,;68.67,-29.69,;61.98,-30.85,;60.45,-30.26,;60.19,-28.64,;61.47,-27.61,;61.21,-26,;59.75,-25.61,;60.77,-26.76,;62.28,-26.46,;62.77,-25,;61.74,-23.85,;60.24,-24.16,;59.22,-22.99,;59.72,-21.52,;61.21,-21.24,;62.24,-22.39,;63.74,-22.09,;64.38,-20.69,;65.91,-20.86,;66.21,-22.37,;64.87,-23.12,)| | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of HDAC3 (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128168 BindingDB Entry DOI: 10.7270/Q2QR51V7 |
More data for this Ligand-Target Pair | |