Found 134 hits Enz. Inhib. hit(s) with all data for entry = 50013639 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50568214
(CHEMBL4860000)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(54.03,-3.3,;52.63,-2.65,;51.39,-3.55,;51.52,-5.08,;49.99,-2.91,;48.73,-3.8,;47.34,-3.16,;46.08,-4.04,;44.69,-3.4,;43.44,-4.3,;43.59,-5.82,;44.98,-6.47,;46.23,-5.57,;45.14,-7.99,;46.02,-9.24,;44.49,-9.38,;43.11,-8.59,;41.76,-9.38,;41.75,-10.96,;43.12,-11.75,;44.51,-10.96,;40.36,-11.76,;38.97,-10.95,;37.58,-11.75,;36.09,-10.67,;34.26,-10.81,;32.5,-6.91,;30.88,-5.99,;31.12,-4.14,;32.53,-3.43,;33.01,-1.95,;34.54,-1.65,;35.57,-2.81,;37.06,-2.53,;38.07,-3.68,;37.59,-5.14,;36.08,-5.44,;35.07,-4.29,;33.55,-4.59,;33.04,-6.11,;39.58,-3.38,;40.22,-1.98,;41.75,-2.16,;42.05,-3.66,;40.71,-4.41,)| | 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 | 0.0600 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50568215
(CHEMBL4878197)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(-c4cnc1[nH]4)c(OC)cc3c2=O |r,wU:13.12,wD:9.8,(81.04,-4.01,;79.64,-3.37,;78.4,-4.27,;78.53,-5.8,;77,-3.63,;75.75,-4.52,;74.35,-3.88,;73.09,-4.76,;71.71,-4.12,;70.45,-5.02,;70.6,-6.54,;71.99,-7.19,;73.24,-6.29,;72.15,-8.71,;73.03,-9.95,;71.5,-10.1,;70.13,-9.31,;68.77,-10.1,;68.77,-11.67,;70.13,-12.47,;71.52,-11.68,;67.37,-12.47,;65.99,-11.67,;64.6,-12.47,;63.21,-11.22,;61.32,-11.48,;59.29,-7.36,;57.73,-6.26,;58.02,-4.74,;59.54,-4.15,;60.03,-2.67,;61.55,-2.37,;62.58,-3.53,;64.07,-3.25,;65.09,-4.4,;66.6,-4.1,;67.23,-2.7,;68.76,-2.88,;69.06,-4.38,;67.72,-5.13,;64.6,-5.85,;65.62,-7,;65.13,-8.45,;63.1,-6.16,;62.08,-5.01,;60.56,-5.31,;60.05,-6.83,)| | 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 | 0.110 | 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 1
(Homo sapiens (Human)) | BDBM50568211
(CHEMBL4876610)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(53.94,-55.95,;52.55,-55.3,;51.3,-56.19,;51.44,-57.72,;49.9,-55.56,;48.65,-56.45,;47.25,-55.81,;45.99,-56.69,;44.61,-56.06,;43.35,-56.95,;43.49,-58.47,;44.88,-59.12,;46.14,-58.23,;45.04,-60.64,;45.93,-61.89,;44.4,-62.03,;43.02,-61.24,;41.66,-62.03,;41.66,-63.61,;43.03,-64.41,;44.41,-63.62,;40.26,-64.41,;38.55,-63.17,;36.55,-63.64,;33.33,-59.89,;30.34,-58.69,;30.85,-56.4,;32.42,-56.08,;32.92,-54.6,;34.44,-54.29,;35.47,-55.46,;36.96,-55.18,;37.98,-56.33,;37.49,-57.79,;35.99,-58.09,;34.97,-56.93,;33.45,-57.24,;32.94,-58.76,;39.48,-56.03,;40.12,-54.63,;41.65,-54.8,;41.95,-56.31,;40.62,-57.06,)| | 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 | 0.110 | 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 3
(Homo sapiens (Human)) | BDBM50568215
(CHEMBL4878197)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(-c4cnc1[nH]4)c(OC)cc3c2=O |r,wU:13.12,wD:9.8,(81.04,-4.01,;79.64,-3.37,;78.4,-4.27,;78.53,-5.8,;77,-3.63,;75.75,-4.52,;74.35,-3.88,;73.09,-4.76,;71.71,-4.12,;70.45,-5.02,;70.6,-6.54,;71.99,-7.19,;73.24,-6.29,;72.15,-8.71,;73.03,-9.95,;71.5,-10.1,;70.13,-9.31,;68.77,-10.1,;68.77,-11.67,;70.13,-12.47,;71.52,-11.68,;67.37,-12.47,;65.99,-11.67,;64.6,-12.47,;63.21,-11.22,;61.32,-11.48,;59.29,-7.36,;57.73,-6.26,;58.02,-4.74,;59.54,-4.15,;60.03,-2.67,;61.55,-2.37,;62.58,-3.53,;64.07,-3.25,;65.09,-4.4,;66.6,-4.1,;67.23,-2.7,;68.76,-2.88,;69.06,-4.38,;67.72,-5.13,;64.6,-5.85,;65.62,-7,;65.13,-8.45,;63.1,-6.16,;62.08,-5.01,;60.56,-5.31,;60.05,-6.83,)| | 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 | 0.130 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50568214
(CHEMBL4860000)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(54.03,-3.3,;52.63,-2.65,;51.39,-3.55,;51.52,-5.08,;49.99,-2.91,;48.73,-3.8,;47.34,-3.16,;46.08,-4.04,;44.69,-3.4,;43.44,-4.3,;43.59,-5.82,;44.98,-6.47,;46.23,-5.57,;45.14,-7.99,;46.02,-9.24,;44.49,-9.38,;43.11,-8.59,;41.76,-9.38,;41.75,-10.96,;43.12,-11.75,;44.51,-10.96,;40.36,-11.76,;38.97,-10.95,;37.58,-11.75,;36.09,-10.67,;34.26,-10.81,;32.5,-6.91,;30.88,-5.99,;31.12,-4.14,;32.53,-3.43,;33.01,-1.95,;34.54,-1.65,;35.57,-2.81,;37.06,-2.53,;38.07,-3.68,;37.59,-5.14,;36.08,-5.44,;35.07,-4.29,;33.55,-4.59,;33.04,-6.11,;39.58,-3.38,;40.22,-1.98,;41.75,-2.16,;42.05,-3.66,;40.71,-4.41,)| | 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 | 0.200 | 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 1
(Homo sapiens (Human)) | BDBM50568207
(CHEMBL4856631)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2c(ccn(C)c2=O)c1 |r| | 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 | <0.300 | 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 3
(Homo sapiens (Human)) | BDBM50568207
(CHEMBL4856631)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2c(ccn(C)c2=O)c1 |r| | 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 | <0.300 | 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 | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50568215
(CHEMBL4878197)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(-c4cnc1[nH]4)c(OC)cc3c2=O |r,wU:13.12,wD:9.8,(81.04,-4.01,;79.64,-3.37,;78.4,-4.27,;78.53,-5.8,;77,-3.63,;75.75,-4.52,;74.35,-3.88,;73.09,-4.76,;71.71,-4.12,;70.45,-5.02,;70.6,-6.54,;71.99,-7.19,;73.24,-6.29,;72.15,-8.71,;73.03,-9.95,;71.5,-10.1,;70.13,-9.31,;68.77,-10.1,;68.77,-11.67,;70.13,-12.47,;71.52,-11.68,;67.37,-12.47,;65.99,-11.67,;64.6,-12.47,;63.21,-11.22,;61.32,-11.48,;59.29,-7.36,;57.73,-6.26,;58.02,-4.74,;59.54,-4.15,;60.03,-2.67,;61.55,-2.37,;62.58,-3.53,;64.07,-3.25,;65.09,-4.4,;66.6,-4.1,;67.23,-2.7,;68.76,-2.88,;69.06,-4.38,;67.72,-5.13,;64.6,-5.85,;65.62,-7,;65.13,-8.45,;63.1,-6.16,;62.08,-5.01,;60.56,-5.31,;60.05,-6.83,)| | 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 | 0.310 | 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 3
(Homo sapiens (Human)) | BDBM50568213
(CHEMBL4869000)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(27.19,-4.47,;25.79,-3.82,;24.56,-4.71,;24.69,-6.24,;23.15,-4.08,;21.91,-4.96,;20.51,-4.33,;19.26,-5.21,;17.87,-4.58,;16.62,-5.46,;16.76,-6.99,;18.16,-7.64,;19.41,-6.74,;18.31,-9.15,;19.19,-10.4,;17.67,-10.54,;16.29,-9.76,;14.94,-10.54,;14.93,-12.12,;16.3,-12.91,;17.68,-12.12,;13.54,-12.91,;12.05,-11.67,;10.16,-12.03,;8.16,-8.93,;4.6,-8.03,;3.64,-6.43,;4.15,-4.92,;5.72,-4.6,;6.21,-3.12,;7.73,-2.82,;8.75,-3.98,;10.24,-3.69,;11.27,-4.85,;10.77,-6.31,;9.28,-6.61,;8.26,-5.45,;6.74,-5.75,;6.23,-7.27,;12.76,-4.55,;13.4,-3.15,;14.93,-3.33,;15.22,-4.83,;13.9,-5.58,)| | 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 | 0.320 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50568213
(CHEMBL4869000)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(27.19,-4.47,;25.79,-3.82,;24.56,-4.71,;24.69,-6.24,;23.15,-4.08,;21.91,-4.96,;20.51,-4.33,;19.26,-5.21,;17.87,-4.58,;16.62,-5.46,;16.76,-6.99,;18.16,-7.64,;19.41,-6.74,;18.31,-9.15,;19.19,-10.4,;17.67,-10.54,;16.29,-9.76,;14.94,-10.54,;14.93,-12.12,;16.3,-12.91,;17.68,-12.12,;13.54,-12.91,;12.05,-11.67,;10.16,-12.03,;8.16,-8.93,;4.6,-8.03,;3.64,-6.43,;4.15,-4.92,;5.72,-4.6,;6.21,-3.12,;7.73,-2.82,;8.75,-3.98,;10.24,-3.69,;11.27,-4.85,;10.77,-6.31,;9.28,-6.61,;8.26,-5.45,;6.74,-5.75,;6.23,-7.27,;12.76,-4.55,;13.4,-3.15,;14.93,-3.33,;15.22,-4.83,;13.9,-5.58,)| | 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 | 0.330 | 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 1
(Homo sapiens (Human)) | BDBM50546480
(CHEMBL4785376)Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2[nH]c(nc2C(N)=O)-c2ccc(F)cc2)CC1 |r| | 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 | 0.400 | 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)) | BDBM50568214
(CHEMBL4860000)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(54.03,-3.3,;52.63,-2.65,;51.39,-3.55,;51.52,-5.08,;49.99,-2.91,;48.73,-3.8,;47.34,-3.16,;46.08,-4.04,;44.69,-3.4,;43.44,-4.3,;43.59,-5.82,;44.98,-6.47,;46.23,-5.57,;45.14,-7.99,;46.02,-9.24,;44.49,-9.38,;43.11,-8.59,;41.76,-9.38,;41.75,-10.96,;43.12,-11.75,;44.51,-10.96,;40.36,-11.76,;38.97,-10.95,;37.58,-11.75,;36.09,-10.67,;34.26,-10.81,;32.5,-6.91,;30.88,-5.99,;31.12,-4.14,;32.53,-3.43,;33.01,-1.95,;34.54,-1.65,;35.57,-2.81,;37.06,-2.53,;38.07,-3.68,;37.59,-5.14,;36.08,-5.44,;35.07,-4.29,;33.55,-4.59,;33.04,-6.11,;39.58,-3.38,;40.22,-1.98,;41.75,-2.16,;42.05,-3.66,;40.71,-4.41,)| | 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 | 0.430 | 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 1
(Homo sapiens (Human)) | BDBM50568209
(CHEMBL4853593)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(78.93,-40.88,;77.54,-40.24,;76.29,-41.13,;76.43,-42.66,;74.89,-40.49,;73.64,-41.38,;72.24,-40.74,;70.98,-41.63,;69.6,-40.99,;68.34,-41.88,;68.48,-43.41,;69.88,-44.06,;71.14,-43.16,;70.04,-45.57,;70.92,-46.83,;69.39,-46.96,;68.01,-46.18,;66.65,-46.96,;66.65,-48.55,;68.02,-49.34,;69.41,-48.55,;65.26,-49.35,;61.83,-47.66,;57.1,-47.99,;54.94,-45.64,;55.51,-42.82,;57.41,-41.01,;57.91,-39.53,;59.43,-39.23,;60.46,-40.39,;61.95,-40.11,;62.97,-41.26,;62.48,-42.72,;60.98,-43.03,;59.96,-41.87,;58.44,-42.17,;57.93,-43.7,;64.48,-40.96,;65.11,-39.56,;66.64,-39.74,;66.94,-41.24,;65.61,-41.99,)| | 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 | 0.610 | 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 3
(Homo sapiens (Human)) | BDBM50546480
(CHEMBL4785376)Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2[nH]c(nc2C(N)=O)-c2ccc(F)cc2)CC1 |r| | 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 | 0.700 | 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 | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50568204
(CHEMBL4854377)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)C\C=C\CN2C3CCC2c2cc(ccc32)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,t:24,TLB:24:25:30.35:27.28,(23.45,-24.5,;22.06,-23.86,;20.81,-24.75,;20.95,-26.28,;19.42,-24.11,;18.17,-25,;16.77,-24.37,;15.52,-25.25,;14.13,-24.61,;12.87,-25.5,;13.01,-27.03,;14.4,-27.67,;15.66,-26.78,;14.57,-29.2,;15.45,-30.45,;13.92,-30.58,;12.54,-29.79,;11.18,-30.58,;11.18,-32.16,;12.55,-32.95,;13.93,-32.17,;4.16,-31.99,;3.9,-30.43,;2.43,-29.87,;2.17,-28.31,;3.4,-27.31,;2.98,-25.79,;2.48,-27.25,;3.5,-28.41,;5.02,-28.11,;5.51,-26.65,;7.02,-26.34,;7.51,-24.88,;6.49,-23.73,;5,-24.02,;4.5,-25.49,;9.01,-24.58,;9.64,-23.19,;11.17,-23.36,;11.48,-24.86,;10.14,-25.62,)| | 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 | 0.860 | 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 3
(Homo sapiens (Human)) | BDBM50568204
(CHEMBL4854377)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)C\C=C\CN2C3CCC2c2cc(ccc32)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,t:24,TLB:24:25:30.35:27.28,(23.45,-24.5,;22.06,-23.86,;20.81,-24.75,;20.95,-26.28,;19.42,-24.11,;18.17,-25,;16.77,-24.37,;15.52,-25.25,;14.13,-24.61,;12.87,-25.5,;13.01,-27.03,;14.4,-27.67,;15.66,-26.78,;14.57,-29.2,;15.45,-30.45,;13.92,-30.58,;12.54,-29.79,;11.18,-30.58,;11.18,-32.16,;12.55,-32.95,;13.93,-32.17,;4.16,-31.99,;3.9,-30.43,;2.43,-29.87,;2.17,-28.31,;3.4,-27.31,;2.98,-25.79,;2.48,-27.25,;3.5,-28.41,;5.02,-28.11,;5.51,-26.65,;7.02,-26.34,;7.51,-24.88,;6.49,-23.73,;5,-24.02,;4.5,-25.49,;9.01,-24.58,;9.64,-23.19,;11.17,-23.36,;11.48,-24.86,;10.14,-25.62,)| | 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 | 0.860 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50568195
(CHEMBL443392)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| | 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 | 1.10 | 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 3
(Homo sapiens (Human)) | BDBM50568208
(CHEMBL4859998)Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3c(ccn(CC)c3=O)c2)CC1 |r| | 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 | <1.5 | 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 | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50568208
(CHEMBL4859998)Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3c(ccn(CC)c3=O)c2)CC1 |r| | 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 | <1.5 | 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 1
(Homo sapiens (Human)) | BDBM50568208
(CHEMBL4859998)Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2ncc([nH]2)-c2ccc3c(ccn(CC)c3=O)c2)CC1 |r| | 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 | <1.5 | 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)) | BDBM50568207
(CHEMBL4856631)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2c(ccn(C)c2=O)c1 |r| | 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 | 1.60 | 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 3
(Homo sapiens (Human)) | BDBM50568195
(CHEMBL443392)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| | 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 | 1.70 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50546484
(CHEMBL4776685)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1[nH]c(nc1C(N)=O)-c1ccccc1 |r| | 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 | 1.90 | 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 3
(Homo sapiens (Human)) | BDBM50546484
(CHEMBL4776685)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1[nH]c(nc1C(N)=O)-c1ccccc1 |r| | 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 | 2.5 | 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 | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50568211
(CHEMBL4876610)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(53.94,-55.95,;52.55,-55.3,;51.3,-56.19,;51.44,-57.72,;49.9,-55.56,;48.65,-56.45,;47.25,-55.81,;45.99,-56.69,;44.61,-56.06,;43.35,-56.95,;43.49,-58.47,;44.88,-59.12,;46.14,-58.23,;45.04,-60.64,;45.93,-61.89,;44.4,-62.03,;43.02,-61.24,;41.66,-62.03,;41.66,-63.61,;43.03,-64.41,;44.41,-63.62,;40.26,-64.41,;38.55,-63.17,;36.55,-63.64,;33.33,-59.89,;30.34,-58.69,;30.85,-56.4,;32.42,-56.08,;32.92,-54.6,;34.44,-54.29,;35.47,-55.46,;36.96,-55.18,;37.98,-56.33,;37.49,-57.79,;35.99,-58.09,;34.97,-56.93,;33.45,-57.24,;32.94,-58.76,;39.48,-56.03,;40.12,-54.63,;41.65,-54.8,;41.95,-56.31,;40.62,-57.06,)| | 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 | 2.60 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50568204
(CHEMBL4854377)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)C\C=C\CN2C3CCC2c2cc(ccc32)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,t:24,TLB:24:25:30.35:27.28,(23.45,-24.5,;22.06,-23.86,;20.81,-24.75,;20.95,-26.28,;19.42,-24.11,;18.17,-25,;16.77,-24.37,;15.52,-25.25,;14.13,-24.61,;12.87,-25.5,;13.01,-27.03,;14.4,-27.67,;15.66,-26.78,;14.57,-29.2,;15.45,-30.45,;13.92,-30.58,;12.54,-29.79,;11.18,-30.58,;11.18,-32.16,;12.55,-32.95,;13.93,-32.17,;4.16,-31.99,;3.9,-30.43,;2.43,-29.87,;2.17,-28.31,;3.4,-27.31,;2.98,-25.79,;2.48,-27.25,;3.5,-28.41,;5.02,-28.11,;5.51,-26.65,;7.02,-26.34,;7.51,-24.88,;6.49,-23.73,;5,-24.02,;4.5,-25.49,;9.01,-24.58,;9.64,-23.19,;11.17,-23.36,;11.48,-24.86,;10.14,-25.62,)| | 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 | 2.70 | 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 3
(Homo sapiens (Human)) | BDBM50568203
(CHEMBL4859950)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2C3CCC(C3)c2c1 |r| | 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 | 3.70 | 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 | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50568203
(CHEMBL4859950)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2C3CCC(C3)c2c1 |r| | 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 | 3.70 | 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 2
(Homo sapiens (Human)) | BDBM50546480
(CHEMBL4785376)Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2[nH]c(nc2C(N)=O)-c2ccc(F)cc2)CC1 |r| | 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 | 5 | 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 3
(Homo sapiens (Human)) | BDBM50568209
(CHEMBL4853593)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(78.93,-40.88,;77.54,-40.24,;76.29,-41.13,;76.43,-42.66,;74.89,-40.49,;73.64,-41.38,;72.24,-40.74,;70.98,-41.63,;69.6,-40.99,;68.34,-41.88,;68.48,-43.41,;69.88,-44.06,;71.14,-43.16,;70.04,-45.57,;70.92,-46.83,;69.39,-46.96,;68.01,-46.18,;66.65,-46.96,;66.65,-48.55,;68.02,-49.34,;69.41,-48.55,;65.26,-49.35,;61.83,-47.66,;57.1,-47.99,;54.94,-45.64,;55.51,-42.82,;57.41,-41.01,;57.91,-39.53,;59.43,-39.23,;60.46,-40.39,;61.95,-40.11,;62.97,-41.26,;62.48,-42.72,;60.98,-43.03,;59.96,-41.87,;58.44,-42.17,;57.93,-43.7,;64.48,-40.96,;65.11,-39.56,;66.64,-39.74,;66.94,-41.24,;65.61,-41.99,)| | 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 | 7.10 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50568203
(CHEMBL4859950)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(C)CC1)c1ncc([nH]1)-c1ccc2C3CCC(C3)c2c1 |r| | 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 | 8.20 | 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)) | BDBM50568213
(CHEMBL4869000)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(27.19,-4.47,;25.79,-3.82,;24.56,-4.71,;24.69,-6.24,;23.15,-4.08,;21.91,-4.96,;20.51,-4.33,;19.26,-5.21,;17.87,-4.58,;16.62,-5.46,;16.76,-6.99,;18.16,-7.64,;19.41,-6.74,;18.31,-9.15,;19.19,-10.4,;17.67,-10.54,;16.29,-9.76,;14.94,-10.54,;14.93,-12.12,;16.3,-12.91,;17.68,-12.12,;13.54,-12.91,;12.05,-11.67,;10.16,-12.03,;8.16,-8.93,;4.6,-8.03,;3.64,-6.43,;4.15,-4.92,;5.72,-4.6,;6.21,-3.12,;7.73,-2.82,;8.75,-3.98,;10.24,-3.69,;11.27,-4.85,;10.77,-6.31,;9.28,-6.61,;8.26,-5.45,;6.74,-5.75,;6.23,-7.27,;12.76,-4.55,;13.4,-3.15,;14.93,-3.33,;15.22,-4.83,;13.9,-5.58,)| | 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 | 8.5 | 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 2
(Homo sapiens (Human)) | BDBM50568195
(CHEMBL443392)Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| | 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 | 9 | 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 3
(Homo sapiens (Human)) | BDBM50258579
((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C26H33N5O3/c1-17(32)9-5-4-6-12-22(29-25(33)19-15-31(2)16-19)24-27-14-23(28-24)20-13-18-10-7-8-11-21(18)30-26(20)34-3/h7-8,10-11,13-14,19,22H,4-6,9,12,15-16H2,1-3H3,(H,27,28)(H,29,33)/t22-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | 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 | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50568196
(CHEMBL4869027)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1ccccc1 |r| | 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 | 12 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50258579
((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C26H33N5O3/c1-17(32)9-5-4-6-12-22(29-25(33)19-15-31(2)16-19)24-27-14-23(28-24)20-13-18-10-7-8-11-21(18)30-26(20)34-3/h7-8,10-11,13-14,19,22H,4-6,9,12,15-16H2,1-3H3,(H,27,28)(H,29,33)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | 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 1
(Homo sapiens (Human)) | BDBM50568210
(CHEMBL4863325)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCCn2c3ccc(cc3ccc2=O)-c2cnc1o2 |r,wU:13.12,wD:9.8,(24.65,-55.17,;23.25,-54.53,;22.01,-55.41,;22.14,-56.95,;20.6,-54.78,;19.35,-55.67,;17.96,-55.03,;16.7,-55.92,;15.31,-55.28,;14.05,-56.17,;14.2,-57.69,;15.59,-58.35,;16.85,-57.45,;15.75,-59.86,;16.63,-61.12,;15.1,-61.25,;13.72,-60.47,;12.36,-61.25,;12.36,-62.84,;13.73,-63.63,;15.12,-62.84,;6.84,-61.59,;5.26,-61.91,;4.2,-60.71,;4.71,-59.19,;3.65,-57.99,;4.16,-56.46,;5.67,-56.16,;6.69,-57.32,;8.2,-57.01,;8.69,-55.55,;7.67,-54.4,;6.17,-54.68,;5.15,-53.52,;3.62,-53.82,;3.13,-55.3,;1.55,-55.62,;10.19,-55.25,;10.83,-53.85,;12.36,-54.03,;12.66,-55.53,;11.32,-56.28,)| | 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 | 16 | 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)) | BDBM50258579
((S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2...)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1cc2ccccc2nc1OC |r| Show InChI InChI=1S/C26H33N5O3/c1-17(32)9-5-4-6-12-22(29-25(33)19-15-31(2)16-19)24-27-14-23(28-24)20-13-18-10-7-8-11-21(18)30-26(20)34-3/h7-8,10-11,13-14,19,22H,4-6,9,12,15-16H2,1-3H3,(H,27,28)(H,29,33)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | 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 2
(Homo sapiens (Human)) | BDBM50546484
(CHEMBL4776685)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1[nH]c(nc1C(N)=O)-c1ccccc1 |r| | 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 | 18 | 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 3
(Homo sapiens (Human)) | BDBM50568201
(CHEMBL4876853)Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2[nH]c-3nc2C(=O)NCCC\C=C\c2cccc-3c2)CC1 |r,t:34| | 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 | 18 | 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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50568205
(CHEMBL4866612)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCCN2C3CCC2c2cc(ccc32)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,TLB:24:25:30.35:27.28,(51.92,-23.44,;50.53,-22.8,;49.28,-23.69,;49.42,-25.23,;47.89,-23.06,;46.63,-23.95,;45.24,-23.31,;43.98,-24.2,;42.6,-23.56,;41.34,-24.45,;41.48,-25.97,;42.87,-26.62,;44.13,-25.73,;43.03,-28.14,;43.92,-29.39,;42.39,-29.53,;41.01,-28.74,;39.65,-29.52,;39.64,-31.11,;41.02,-31.9,;42.4,-31.11,;33.18,-31.04,;32.37,-29.37,;30.9,-28.81,;30.64,-27.26,;31.86,-26.25,;31.45,-24.73,;30.95,-26.19,;31.97,-27.36,;33.49,-27.06,;33.97,-25.6,;35.49,-25.29,;35.98,-23.83,;34.96,-22.68,;33.47,-22.96,;32.96,-24.43,;37.48,-23.53,;38.11,-22.13,;39.64,-22.3,;39.95,-23.81,;38.61,-24.56,)| | 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 | 19 | 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 1
(Homo sapiens (Human)) | BDBM50568201
(CHEMBL4876853)Show SMILES CCN1CCC2(C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c2[nH]c-3nc2C(=O)NCCC\C=C\c2cccc-3c2)CC1 |r,t:34| | 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 | 21 | 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)) | BDBM50568211
(CHEMBL4876610)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(53.94,-55.95,;52.55,-55.3,;51.3,-56.19,;51.44,-57.72,;49.9,-55.56,;48.65,-56.45,;47.25,-55.81,;45.99,-56.69,;44.61,-56.06,;43.35,-56.95,;43.49,-58.47,;44.88,-59.12,;46.14,-58.23,;45.04,-60.64,;45.93,-61.89,;44.4,-62.03,;43.02,-61.24,;41.66,-62.03,;41.66,-63.61,;43.03,-64.41,;44.41,-63.62,;40.26,-64.41,;38.55,-63.17,;36.55,-63.64,;33.33,-59.89,;30.34,-58.69,;30.85,-56.4,;32.42,-56.08,;32.92,-54.6,;34.44,-54.29,;35.47,-55.46,;36.96,-55.18,;37.98,-56.33,;37.49,-57.79,;35.99,-58.09,;34.97,-56.93,;33.45,-57.24,;32.94,-58.76,;39.48,-56.03,;40.12,-54.63,;41.65,-54.8,;41.95,-56.31,;40.62,-57.06,)| | 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 | 22 | 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 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 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 | |
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 1
(Homo sapiens (Human)) | BDBM50568216
(CHEMBL4849063)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)CN(C)CCCCOCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r| | 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 | 28 | 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)) | BDBM50568209
(CHEMBL4853593)Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(78.93,-40.88,;77.54,-40.24,;76.29,-41.13,;76.43,-42.66,;74.89,-40.49,;73.64,-41.38,;72.24,-40.74,;70.98,-41.63,;69.6,-40.99,;68.34,-41.88,;68.48,-43.41,;69.88,-44.06,;71.14,-43.16,;70.04,-45.57,;70.92,-46.83,;69.39,-46.96,;68.01,-46.18,;66.65,-46.96,;66.65,-48.55,;68.02,-49.34,;69.41,-48.55,;65.26,-49.35,;61.83,-47.66,;57.1,-47.99,;54.94,-45.64,;55.51,-42.82,;57.41,-41.01,;57.91,-39.53,;59.43,-39.23,;60.46,-40.39,;61.95,-40.11,;62.97,-41.26,;62.48,-42.72,;60.98,-43.03,;59.96,-41.87,;58.44,-42.17,;57.93,-43.7,;64.48,-40.96,;65.11,-39.56,;66.64,-39.74,;66.94,-41.24,;65.61,-41.99,)| | 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 | 35 | 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 1
(Homo sapiens (Human)) | BDBM50568196
(CHEMBL4869027)Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc([nH]1)-c1ccccc1 |r| | 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 | 37 | 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 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 | |
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