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Compile Data Set for Download or QSAR

Found 200 hits of ic50 data for complexid = 50004089   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
HDACs


(Homo sapiens (Human))
BDBM50221964
PNG
(CHEMBL114184)
Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 0.0200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221943
PNG
(CHEMBL432618)
Show SMILES COC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 0.0620n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221809
PNG
(CHEMBL321689)
Show SMILES COC(=O)C(=O)CCCCCOc1ccc(cc1)-c1ccccc1
PDB

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n/an/a 0.0820n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221786
PNG
(CHEMBL432243)
Show SMILES COC(=O)C(=O)CCCCCCCOc1ccc(cc1)-c1ccccc1
PDB

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n/an/a 0.109n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221965
PNG
(CHEMBL113303)
Show SMILES CNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
PDB

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n/an/a 0.110n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221785
PNG
(CHEMBL112984)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccc2CCCCc2c1
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222318
PNG
(CHEMBL123626)
Show SMILES COc1ccc(cc1)-c1cnc(CCCCCCC(=O)NO)o1
PDB

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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222327
PNG
(CHEMBL124282)
Show SMILES COc1ccc(cc1)-c1csc(CCCCCCC(=O)NO)n1
PDB

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n/an/a 2.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222343
PNG
(CHEMBL339720)
Show SMILES ONC(=O)CCCCCCc1ncc(o1)-c1ccc(Br)cc1
PDB

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n/an/a 2.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50218532
PNG
(CHEMBL112148)
Show SMILES FC(F)(F)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
PDB

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n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220805
PNG
(CHEMBL294194)
Show SMILES COc1cc(OC)c2cc([nH]c2c1)C(=O)NCCCCCCC(=O)NO
PDB

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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220817
PNG
(CHEMBL57792)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)NCCCCCCC(=O)NO
PDB

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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221925
PNG
(CHEMBL113033)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccc(CCN(C)C)cc1
PDB

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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220804
PNG
(CHEMBL301223)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(Br)ccc2[nH]1
PDB

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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220802
PNG
(CHEMBL54409)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(-c2ccccc2)c2ccccc12
PDB

UniProtKB/SwissProt

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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM25152
PNG
(CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-23-22(27)20(25)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)
PDB

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n/an/a 3.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221807
PNG
(CHEMBL115049)
Show SMILES OC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 3.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222339
PNG
(CHEMBL340885)
Show SMILES ONC(=O)CCCCCCc1nc(cs1)-c1ccc2ccccc2c1
PDB

UniProtKB/SwissProt

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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221814
PNG
(CHEMBL113034)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccncc1
PDB

UniProtKB/SwissProt

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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222342
PNG
(CHEMBL435415)
Show SMILES COc1cccc(OC)c1-c1csc(CCCCCCC(=O)NO)n1
PDB

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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222345
PNG
(CHEMBL123905)
Show SMILES ONC(=O)CCCCCCc1cnc(o1)-c1ccc(Br)cc1
PDB

UniProtKB/SwissProt

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n/an/a 4.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221938
PNG
(CHEMBL321253)
Show SMILES CCNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 4.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221988
PNG
(CHEMBL113566)
Show SMILES CN(C)C(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a>5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220819
PNG
(CHEMBL58487)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(F)ccc2[nH]1
PDB

UniProtKB/SwissProt

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n/an/a 5.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222363
PNG
(CHEMBL125042)
Show SMILES ONC(=O)CCCCCCc1nc(cs1)-c1cccc(Br)c1
PDB

UniProtKB/SwissProt

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n/an/a 5.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220807
PNG
(CHEMBL294447)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(=O)NO
PDB

UniProtKB/SwissProt

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n/an/a 6.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220806
PNG
(CHEMBL293812)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(=O)NO
PDB

UniProtKB/SwissProt

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n/an/a 6.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222341
PNG
(CHEMBL124650)
Show SMILES ONC(=O)CCCCCCc1ncc(o1)-c1ccc(cc1)-c1ccc(Cl)cc1
PDB

UniProtKB/SwissProt

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n/an/a 6.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222319
PNG
(CHEMBL340835)
Show SMILES ONC(=O)CCCCCCc1nc(cs1)-c1ccc(Br)cc1
PDB

UniProtKB/SwissProt

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n/an/a 8.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222011
PNG
(CHEMBL324429)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
PDB

UniProtKB/SwissProt

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n/an/a 9.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50218242
PNG
(CHEMBL115812)
Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)-c1ccc(cc1)C#N
PDB

UniProtKB/SwissProt

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n/an/a 9.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221941
PNG
(CHEMBL420300)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1ccc2ccccc2c1
PDB

UniProtKB/SwissProt

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n/an/a 9.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221810
PNG
(CHEMBL111898)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1cnc2ccccc2c1
PDB

UniProtKB/SwissProt

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n/an/a 9.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222334
PNG
(CHEMBL127846)
Show SMILES ONC(=O)CCCCCCc1ncc(o1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 9.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220822
PNG
(CHEMBL56214)
Show SMILES COc1ccc2cc([nH]c2c1)C(=O)NCCCCCCC(=O)NO
PDB

UniProtKB/SwissProt

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n/an/a 9.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
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

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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HDACs


(Homo sapiens (Human))
BDBM50222323
PNG
(CHEMBL126274)
Show SMILES ONC(=O)CCCCCCc1nc(cs1)-c1ccc(cc1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222365
PNG
(CHEMBL340113)
Show SMILES CNC(=O)C(=O)CCCCCCc1ncc(o1)-c1ccc(OC)cc1
PDB

UniProtKB/SwissProt

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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50221940
PNG
(CHEMBL333150)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
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

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PubMed
n/an/a 11n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HDACs


(Homo sapiens (Human))
BDBM50220793
PNG
(CHEMBL54408)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(-c2ccc(F)cc2)c2ccccc12
PDB

UniProtKB/SwissProt

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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220824
PNG
(CHEMBL56782)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12
PDB

UniProtKB/SwissProt

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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222344
PNG
(CHEMBL339796)
Show SMILES ONC(=O)CCCCCCc1cnc(o1)-c1ccc(cc1)-c1ccccc1
PDB

UniProtKB/SwissProt

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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50222338
PNG
(CHEMBL127184)
Show SMILES ONC(=O)CCCCCCc1cnc(o1)-c1ccccc1
PDB

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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




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More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220795
PNG
(CHEMBL57106)
Show SMILES Cc1c(oc2ccccc12)C(=O)NCCCCCCC(=O)NO
PDB

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Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220810
PNG
(CHEMBL57226)
Show SMILES ONC(=O)CCCCCNC(=O)c1cc2ccccc2[nH]1
PDB

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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220794
PNG
(CHEMBL55719)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
PDB

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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220791
PNG
(CHEMBL59316)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(Cl)ccc2o1
PDB

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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
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Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220818
PNG
(CHEMBL56344)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCCCCCC(=O)NO
PDB

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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (Human))
BDBM50220811
PNG
(CHEMBL56157)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2ccccc2[nH]1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
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