Found 13 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)) | BDBM50079798
(CHEMBL99661)Show SMILES CNCC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO Show InChI InChI=1S/C25H33N3O4S2.2C2HF3O2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23;2*3-2(4,5)1(6)7/h2-10,18-19,21-22,33H,11-16,26H2,1H3,(H,27,29)(H,30,31);2*(H,6,7)/t18?,19-,21-,22-;;/m0../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50082325
(CHEMBL99392)Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O Show InChI InChI=1S/C20H19Cl2N4O6P/c1-10(20-25-18(26-31-20)7-11-2-4-14(21)15(22)6-11)23-19(27)17-9-12-8-13(32-33(28,29)30)3-5-16(12)24-17/h2-6,8,10,12,16H,7,9H2,1H3,(H,23,27)(H2,28,29,30)/t10-,12?,16?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50099379
(CHEMBL95881)Show SMILES CC(C)C[C@H]1CN[C@@H](Cc2ccc(OCCCCC[C@H]1C(=O)OC(C)(C)C)cc2)C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6?,7+,8?,9?,19?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50093769
(CHEMBL329977)Show SMILES [H][C@@]12CN([C@@H](Cc3ccc(OCCCCC1)cc3)C(=O)NCCCCCC(=O)NO)C(=O)[C@@H]2CC(C)C Show InChI InChI=1S/C41H55N9O6/c42-40(43)46-20-8-14-31-37(53)44-22-19-35(51)30(47-36(52)17-16-26-9-2-1-3-10-26)18-21-45-38(54)33-23-27-11-4-5-13-29(27)25-49(33)39(55)34-24-28-12-6-7-15-32(28)50(34)41(56)48-31/h1-5,9-11,13,28,30-34H,6-8,12,14-25H2,(H,44,53)(H,45,54)(H,47,52)(H,48,56)(H4,42,43,46) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50084002
(CHEMBL317614)Show SMILES CCC[C@@H]1[C@@H](CC(C)C)C(=O)N([C@@H](Cc2ccc(OC)cc2)C(=O)NCCCCCC(=O)NO)C1=O Show InChI InChI=1S/C32H43N9O9/c1-3-19(2)27(40-28(45)20-8-5-4-6-9-20)31(48)39-24(15-16-26(43)44)29(46)36-18-25(42)38-23(10-7-17-35-32(33)34)30(47)37-21-11-13-22(14-12-21)41(49)50/h4-6,8-9,11-14,19,23-24,27H,3,7,10,15-18H2,1-2H3,(H10,33,34,35,36,37,38,39,40,42,43,44,45,46,47,48) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50096743
(CHEMBL328819)Show SMILES CCC[C@@H]1[C@@H](CC(C)C)C(=O)N([C@@H](Cc2ccccc2)C(=O)NCCCCCC(=O)NO)C1=O Show InChI InChI=1S/C17H19NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-4,11,13,16H,5-9H2,1H3/t11?,13-,16?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50079808
(CHEMBL317734)Show SMILES CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccccc2)C(=O)NCCCCCC(=O)NO)C(=O)C11CCCC1 Show InChI InChI=1S/C26H39N3O4S2.2C2HF3O2/c1-32-26(31)22(12-14-35-2)28-25(30)23-15-20(16-29(23)13-6-9-19(27)17-34)33-24-11-5-8-18-7-3-4-10-21(18)24;2*3-2(4,5)1(6)7/h5-6,8-9,11,19-20,22-23,34H,3-4,7,10,12-17,27H2,1-2H3,(H,28,30);2*(H,6,7)/t19?,20-,22-,23-;;/m0../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50096737
(CHEMBL98748)Show SMILES CC(C)C[C@@H]1CC(=O)N([C@@H](Cc2ccccc2)C(=O)NCCCCCC(=O)NO)C1=O Show InChI InChI=1S/C18H19N/c1-19-8-7-11-5-6-14-9-12-3-2-4-13-10-15(19)17(11)18(14)16(12)13/h2-6,13,15-16H,7-10H2,1H3/t13?,15-,16?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50100964
(CHEMBL318616)Show SMILES CC(C)C[C@@H]1CC(=O)N([C@@H](CC2CCCCC2)C(=O)NCCCCCC(=O)NO)C1=O Show InChI InChI=1S/C9H13N3O2/c1-13-7-4-3-6(12-9(10)11)5-8(7)14-2/h3-5H,1-2H3,(H4,10,11,12) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50100965
(CHEMBL98428)Show SMILES ONC(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC1=O Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-5-1-2-6-7(3-5)13-4-12-6/h1-3H,4H2,(H4,9,10,11) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50100966
(CHEMBL327292)Show SMILES CC(C)C[C@@H]1CC(=O)N(CC(=O)NCCCCCC(=O)NO)C1=O Show InChI InChI=1S/C9H10ClN3/c10-7-2-1-3-8(6-7)13-9-11-4-5-12-9/h1-3,6H,4-5H2,(H2,11,12,13) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Homo sapiens (Human)) | BDBM50079799
(CHEMBL101105)Show SMILES ONC(=O)CCCCCNC(=O)[C@H](Cc1ccccc1)N1CCCC1=O Show InChI InChI=1S/C26H35N3O4S2.2C2HF3O2/c1-32-26(31)22(12-14-35-2)28-25(30)23-15-20(16-29(23)13-6-9-19(27)17-34)33-24-11-5-8-18-7-3-4-10-21(18)24;2*3-2(4,5)1(6)7/h3-11,19-20,22-23,34H,12-17,27H2,1-2H3,(H,28,30);2*(H,6,7)/t19?,20-,22-,23-;;/m0../s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Concentration required to inhibit Histone Deacetylase (HDAC) from K562 erythroleukemia cells |
Bioorg Med Chem Lett 12: 2919-23 (2002)
BindingDB Entry DOI: 10.7270/Q2C24ZMW |
More data for this
Ligand-Target Pair | |
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