Found 4 hits of Enzyme Inhibition Constant Data 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
(Homo sapiens (Human)) | BDBM50476882
(CHEMBL428721)Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCSSCCCCCCC(=O)Nc3ncc(s3)-c3ccccc3)C(O)=O)C=NC2=N1 |c:55,58,t:1,6| Show InChI InChI=1S/C37H42N10O6S3/c38-36-46-32-31(34(51)47-36)43-26(21-41-32)20-40-25-13-11-24(12-14-25)33(50)44-27(35(52)53)15-16-29(48)39-17-19-55-54-18-7-2-1-6-10-30(49)45-37-42-22-28(56-37)23-8-4-3-5-9-23/h3-5,8-9,11-14,21-22,27,31,40H,1-2,6-7,10,15-20H2,(H,39,48)(H,44,50)(H,52,53)(H2,38,47,51)(H,42,45,49)/t27-,31?/m0/s1 | PDB
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GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in HeLa cells in presence of DTT after 30 mins by fluorescent activity assay |
Bioorg Med Chem Lett 17: 4208-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.040
BindingDB Entry DOI: 10.7270/Q2GH9MRV |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50476883
(CHEMBL235880)Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCOCCOCCSSCCCCCCC(=O)Nc3ncc(s3)-c3ccccc3)C(O)=O)C=NC2=N1 |c:61,64,t:1,6| Show InChI InChI=1S/C41H50N10O8S3/c42-40-50-36-35(38(55)51-40)47-30(25-45-36)24-44-29-13-11-28(12-14-29)37(54)48-31(39(56)57)15-16-33(52)43-17-18-58-19-20-59-21-23-61-60-22-7-2-1-6-10-34(53)49-41-46-26-32(62-41)27-8-4-3-5-9-27/h3-5,8-9,11-14,25-26,31,35,44H,1-2,6-7,10,15-24H2,(H,43,52)(H,48,54)(H,56,57)(H2,42,51,55)(H,46,49,53)/t31-,35?/m0/s1 | PDB
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GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in HeLa cells in presence of DTT after 30 mins by fluorescent activity assay |
Bioorg Med Chem Lett 17: 4208-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.040
BindingDB Entry DOI: 10.7270/Q2GH9MRV |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50476884
(CHEMBL236723)Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCSSCCCCCCNC(=O)CC[C@H](NC(=O)c3ccc(NCC4=NC5C(=O)N=C(N)N=C5N=C4)cc3)C(O)=O)C(O)=O)C=NC2=N1 |c:63,66,78,81,t:1,6,55,60| Show InChI InChI=1S/C50H62N16O10S2/c51-49-63-41-39(45(71)65-49)59-33(27-57-41)25-55-31-13-9-29(10-14-31)43(69)61-35(47(73)74)17-19-37(67)53-21-5-1-3-7-23-77-78-24-8-4-2-6-22-54-38(68)20-18-36(48(75)76)62-44(70)30-11-15-32(16-12-30)56-26-34-28-58-42-40(60-34)46(72)66-50(52)64-42/h9-16,27-28,35-36,39-40,55-56H,1-8,17-26H2,(H,53,67)(H,54,68)(H,61,69)(H,62,70)(H,73,74)(H,75,76)(H2,51,65,71)(H2,52,66,72)/t35-,36-,39?,40?/m0/s1 | PDB
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GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in HeLa cells in presence of DTT after 30 mins by fluorescent activity assay |
Bioorg Med Chem Lett 17: 4208-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.040
BindingDB Entry DOI: 10.7270/Q2GH9MRV |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50476881
(CHEMBL438153)Show SMILES NC1=NC(=O)C2N=C(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCS)C(O)=O)C=NC2=N1 |c:36,39,t:1,6| Show InChI InChI=1S/C25H32N8O5S/c26-25-32-21-20(23(36)33-25)30-17(14-29-21)13-28-16-7-5-15(6-8-16)22(35)31-18(24(37)38)9-10-19(34)27-11-3-1-2-4-12-39/h5-8,14,18,20,28,39H,1-4,9-13H2,(H,27,34)(H,31,35)(H,37,38)(H2,26,33,36)/t18-,20?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC in HeLa cells after 30 mins by fluorescent activity assay |
Bioorg Med Chem Lett 17: 4208-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.040
BindingDB Entry DOI: 10.7270/Q2GH9MRV |
More data for this
Ligand-Target Pair | |
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