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SMILES: [H][C@]12CCCN1C(=O)[C@]1([H])CCCCCCCCCC[C@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1

InChI Key: InChIKey=BVYNKHHGAJSMBT-MYGLTJDJSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50051033   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50051033
PNG
(CHEMBL3309856)
Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCCCCCCCCC[C@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r|
Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/m0/s1
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.031
BindingDB Entry DOI: 10.7270/Q2K93953
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50051033
PNG
(CHEMBL3309856)
Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCCCCCCCCC[C@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r|
Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/m0/s1
Reactome pathway
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UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 230n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.031
BindingDB Entry DOI: 10.7270/Q2K93953
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50051033
PNG
(CHEMBL3309856)
Show SMILES [H][C@]12CCCN1C(=O)[C@]1([H])CCCCCCCCCC[C@]([H])(NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)C(=O)N1 |r|
Show InChI InChI=1S/C27H45N5O6/c33-23(31-38)17-11-7-10-14-20-24(34)28-19-13-8-5-3-1-2-4-6-9-15-21(30-25(19)35)27(37)32-18-12-16-22(32)26(36)29-20/h19-22,38H,1-18H2,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.031
BindingDB Entry DOI: 10.7270/Q2K93953
More data for this
Ligand-Target Pair