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BDBM50377382 AZUMAMIDE D

SMILES: C[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O

InChI Key: InChIKey=CTSOUSRCWCZQCB-AZNNDXHDSA-N

Data: 1 KI  3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50377382   
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
Nuclear receptor corepressor 1


(Homo sapiens (Human))
BDBM50377382
PNG
(AZUMAMIDE D)
Show SMILES C[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:9.8|
Show InChI InChI=1S/C25H35N5O5/c1-15-19(12-8-5-9-13-21(26)31)29-25(35)20(14-18-10-6-4-7-11-18)30-24(34)17(3)28-23(33)16(2)27-22(15)32/h4-8,10-11,15-17,19-20H,9,12-14H2,1-3H3,(H2,26,31)(H,27,32)(H,28,33)(H,29,35)(H,30,34)/t15-,16+,17+,19+,20+/m0/s1
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Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human HDAC3/NcoR1 enzyme using flurogenic Ac-LeuGlyLys (Ac)-AMC as substrate after 15 to 30 mins


J Med Chem 56: 6512-20 (2013)


Article DOI: 10.1021/jm4008449
BindingDB Entry DOI: 10.7270/Q27S7Q6R
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50377382
PNG
(AZUMAMIDE D)
Show SMILES C[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:9.8|
Show InChI InChI=1S/C25H35N5O5/c1-15-19(12-8-5-9-13-21(26)31)29-25(35)20(14-18-10-6-4-7-11-18)30-24(34)17(3)28-23(33)16(2)27-22(15)32/h4-8,10-11,15-17,19-20H,9,12-14H2,1-3H3,(H2,26,31)(H,27,32)(H,28,33)(H,29,35)(H,30,34)/t15-,16+,17+,19+,20+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 expressed in 293T cells


Bioorg Med Chem Lett 18: 2982-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.053
BindingDB Entry DOI: 10.7270/Q20G3M1G
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50377382
PNG
(AZUMAMIDE D)
Show SMILES C[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:9.8|
Show InChI InChI=1S/C25H35N5O5/c1-15-19(12-8-5-9-13-21(26)31)29-25(35)20(14-18-10-6-4-7-11-18)30-24(34)17(3)28-23(33)16(2)27-22(15)32/h4-8,10-11,15-17,19-20H,9,12-14H2,1-3H3,(H2,26,31)(H,27,32)(H,28,33)(H,29,35)(H,30,34)/t15-,16+,17+,19+,20+/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in 293T cells


Bioorg Med Chem Lett 18: 2982-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.053
BindingDB Entry DOI: 10.7270/Q20G3M1G
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50377382
PNG
(AZUMAMIDE D)
Show SMILES C[C@H]1NC(=O)[C@@H](C)[C@@H](CC=CCCC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O |w:9.8|
Show InChI InChI=1S/C25H35N5O5/c1-15-19(12-8-5-9-13-21(26)31)29-25(35)20(14-18-10-6-4-7-11-18)30-24(34)17(3)28-23(33)16(2)27-22(15)32/h4-8,10-11,15-17,19-20H,9,12-14H2,1-3H3,(H2,26,31)(H,27,32)(H,28,33)(H,29,35)(H,30,34)/t15-,16+,17+,19+,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in 293T cells


Bioorg Med Chem Lett 18: 2982-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.053
BindingDB Entry DOI: 10.7270/Q20G3M1G
More data for this
Ligand-Target Pair