Found 5 hits for monomerid = 50568212 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)) | BDBM50568212
(CHEMBL4860990)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCOc2ccc3cc(ccc3n2)-c2cnc1o2 |r,wU:13.12,wD:9.8,(79.6,-58.13,;78.2,-57.48,;76.96,-58.37,;77.1,-59.91,;75.56,-57.74,;74.31,-58.63,;72.91,-57.99,;71.65,-58.87,;70.27,-58.24,;69.01,-59.13,;69.15,-60.65,;70.55,-61.31,;71.8,-60.41,;70.7,-62.82,;71.59,-64.07,;70.06,-64.21,;68.68,-63.43,;67.32,-64.21,;67.32,-65.79,;68.69,-66.59,;70.07,-65.8,;65.92,-66.59,;64.48,-65.02,;62.43,-65.43,;59.65,-62.19,;56.5,-60.66,;56.51,-58.58,;58.08,-58.26,;58.58,-56.78,;60.1,-56.48,;61.13,-57.64,;62.62,-57.36,;63.64,-58.51,;63.15,-59.97,;61.65,-60.28,;60.63,-59.12,;59.11,-59.42,;65.15,-58.21,;65.78,-56.81,;67.31,-56.98,;67.61,-58.49,;66.28,-59.24,)| | 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 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)) | BDBM50568212
(CHEMBL4860990)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCOc2ccc3cc(ccc3n2)-c2cnc1o2 |r,wU:13.12,wD:9.8,(79.6,-58.13,;78.2,-57.48,;76.96,-58.37,;77.1,-59.91,;75.56,-57.74,;74.31,-58.63,;72.91,-57.99,;71.65,-58.87,;70.27,-58.24,;69.01,-59.13,;69.15,-60.65,;70.55,-61.31,;71.8,-60.41,;70.7,-62.82,;71.59,-64.07,;70.06,-64.21,;68.68,-63.43,;67.32,-64.21,;67.32,-65.79,;68.69,-66.59,;70.07,-65.8,;65.92,-66.59,;64.48,-65.02,;62.43,-65.43,;59.65,-62.19,;56.5,-60.66,;56.51,-58.58,;58.08,-58.26,;58.58,-56.78,;60.1,-56.48,;61.13,-57.64,;62.62,-57.36,;63.64,-58.51,;63.15,-59.97,;61.65,-60.28,;60.63,-59.12,;59.11,-59.42,;65.15,-58.21,;65.78,-56.81,;67.31,-56.98,;67.61,-58.49,;66.28,-59.24,)| | 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 | 335 | 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)) | BDBM50568212
(CHEMBL4860990)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCOc2ccc3cc(ccc3n2)-c2cnc1o2 |r,wU:13.12,wD:9.8,(79.6,-58.13,;78.2,-57.48,;76.96,-58.37,;77.1,-59.91,;75.56,-57.74,;74.31,-58.63,;72.91,-57.99,;71.65,-58.87,;70.27,-58.24,;69.01,-59.13,;69.15,-60.65,;70.55,-61.31,;71.8,-60.41,;70.7,-62.82,;71.59,-64.07,;70.06,-64.21,;68.68,-63.43,;67.32,-64.21,;67.32,-65.79,;68.69,-66.59,;70.07,-65.8,;65.92,-66.59,;64.48,-65.02,;62.43,-65.43,;59.65,-62.19,;56.5,-60.66,;56.51,-58.58,;58.08,-58.26,;58.58,-56.78,;60.1,-56.48,;61.13,-57.64,;62.62,-57.36,;63.64,-58.51,;63.15,-59.97,;61.65,-60.28,;60.63,-59.12,;59.11,-59.42,;65.15,-58.21,;65.78,-56.81,;67.31,-56.98,;67.61,-58.49,;66.28,-59.24,)| | 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)) | BDBM50568212
(CHEMBL4860990)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCOc2ccc3cc(ccc3n2)-c2cnc1o2 |r,wU:13.12,wD:9.8,(79.6,-58.13,;78.2,-57.48,;76.96,-58.37,;77.1,-59.91,;75.56,-57.74,;74.31,-58.63,;72.91,-57.99,;71.65,-58.87,;70.27,-58.24,;69.01,-59.13,;69.15,-60.65,;70.55,-61.31,;71.8,-60.41,;70.7,-62.82,;71.59,-64.07,;70.06,-64.21,;68.68,-63.43,;67.32,-64.21,;67.32,-65.79,;68.69,-66.59,;70.07,-65.8,;65.92,-66.59,;64.48,-65.02,;62.43,-65.43,;59.65,-62.19,;56.5,-60.66,;56.51,-58.58,;58.08,-58.26,;58.58,-56.78,;60.1,-56.48,;61.13,-57.64,;62.62,-57.36,;63.64,-58.51,;63.15,-59.97,;61.65,-60.28,;60.63,-59.12,;59.11,-59.42,;65.15,-58.21,;65.78,-56.81,;67.31,-56.98,;67.61,-58.49,;66.28,-59.24,)| | 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)) | BDBM50568212
(CHEMBL4860990)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCOc2ccc3cc(ccc3n2)-c2cnc1o2 |r,wU:13.12,wD:9.8,(79.6,-58.13,;78.2,-57.48,;76.96,-58.37,;77.1,-59.91,;75.56,-57.74,;74.31,-58.63,;72.91,-57.99,;71.65,-58.87,;70.27,-58.24,;69.01,-59.13,;69.15,-60.65,;70.55,-61.31,;71.8,-60.41,;70.7,-62.82,;71.59,-64.07,;70.06,-64.21,;68.68,-63.43,;67.32,-64.21,;67.32,-65.79,;68.69,-66.59,;70.07,-65.8,;65.92,-66.59,;64.48,-65.02,;62.43,-65.43,;59.65,-62.19,;56.5,-60.66,;56.51,-58.58,;58.08,-58.26,;58.58,-56.78,;60.1,-56.48,;61.13,-57.64,;62.62,-57.36,;63.64,-58.51,;63.15,-59.97,;61.65,-60.28,;60.63,-59.12,;59.11,-59.42,;65.15,-58.21,;65.78,-56.81,;67.31,-56.98,;67.61,-58.49,;66.28,-59.24,)| | 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 | 150 | 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 | |