Found 8 hits for monomerid = 50531335 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)) | BDBM50531335
(CHEMBL4586891)Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H26N4O5S/c34-21-11-9-20(10-12-21)29-27(23-14-13-22(35)16-25(23)39-29)28(37)19-7-5-18(6-8-19)24-17-33(32-30-24)15-3-1-2-4-26(36)31-38/h5-14,16-17,34-35,38H,1-4,15H2,(H,31,36) | 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 | 839 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian CSIR-Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-l-Lys(Ac)-AMC as substrate preincubated up... |
Eur J Med Chem 158: 620-706 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.073
BindingDB Entry DOI: 10.7270/Q2HT2STK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50531335
(CHEMBL4586891)Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H26N4O5S/c34-21-11-9-20(10-12-21)29-27(23-14-13-22(35)16-25(23)39-29)28(37)19-7-5-18(6-8-19)24-17-33(32-30-24)15-3-1-2-4-26(36)31-38/h5-14,16-17,34-35,38H,1-4,15H2,(H,31,36) | 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 | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian CSIR-Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 (unknown origin) expressed in Escherichia coli using BML-KI-178 as substrate preincubated up to 3 hrs and measured after 35 mins ... |
Eur J Med Chem 158: 620-706 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.073
BindingDB Entry DOI: 10.7270/Q2HT2STK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM50531335
(CHEMBL4586891)Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H26N4O5S/c34-21-11-9-20(10-12-21)29-27(23-14-13-22(35)16-25(23)39-29)28(37)19-7-5-18(6-8-19)24-17-33(32-30-24)15-3-1-2-4-26(36)31-38/h5-14,16-17,34-35,38H,1-4,15H2,(H,31,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 |
Indian CSIR-Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express... |
Eur J Med Chem 158: 620-706 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.073
BindingDB Entry DOI: 10.7270/Q2HT2STK |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50531335
(CHEMBL4586891)Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H26N4O5S/c34-21-11-9-20(10-12-21)29-27(23-14-13-22(35)16-25(23)39-29)28(37)19-7-5-18(6-8-19)24-17-33(32-30-24)15-3-1-2-4-26(36)31-38/h5-14,16-17,34-35,38H,1-4,15H2,(H,31,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.99E+4 | 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
(Homo sapiens (Human)) | BDBM50531335
(CHEMBL4586891)Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H26N4O5S/c34-21-11-9-20(10-12-21)29-27(23-14-13-22(35)16-25(23)39-29)28(37)19-7-5-18(6-8-19)24-17-33(32-30-24)15-3-1-2-4-26(36)31-38/h5-14,16-17,34-35,38H,1-4,15H2,(H,31,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.03E+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 2
(Homo sapiens (Human)) | BDBM50531335
(CHEMBL4586891)Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H26N4O5S/c34-21-11-9-20(10-12-21)29-27(23-14-13-22(35)16-25(23)39-29)28(37)19-7-5-18(6-8-19)24-17-33(32-30-24)15-3-1-2-4-26(36)31-38/h5-14,16-17,34-35,38H,1-4,15H2,(H,31,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.82E+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 3
(Homo sapiens (Human)) | BDBM50531335
(CHEMBL4586891)Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H26N4O5S/c34-21-11-9-20(10-12-21)29-27(23-14-13-22(35)16-25(23)39-29)28(37)19-7-5-18(6-8-19)24-17-33(32-30-24)15-3-1-2-4-26(36)31-38/h5-14,16-17,34-35,38H,1-4,15H2,(H,31,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 748 | 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 2
(Homo sapiens (Human)) | BDBM50531335
(CHEMBL4586891)Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H26N4O5S/c34-21-11-9-20(10-12-21)29-27(23-14-13-22(35)16-25(23)39-29)28(37)19-7-5-18(6-8-19)24-17-33(32-30-24)15-3-1-2-4-26(36)31-38/h5-14,16-17,34-35,38H,1-4,15H2,(H,31,36) | 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 | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian CSIR-Central Drug Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length HDAC2 expressed in baculovirus expression system using Boc-l-Lys(Ac)-AMC as substrate preincubated up to ... |
Eur J Med Chem 158: 620-706 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.073
BindingDB Entry DOI: 10.7270/Q2HT2STK |
More data for this
Ligand-Target Pair | |
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