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BDBM50256945 (S)-benzyl 1-(benzo[d]thiazol-2-ylamino)-1-oxo-6-(sulfamoylamino)hexan-2-ylcarbamate::CHEMBL475861

SMILES: NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccccc2s1

InChI Key: InChIKey=YVVUNRMBZMUVGH-KRWDZBQOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50256945   
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
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50256945
PNG
((S)-benzyl 1-(benzo[d]thiazol-2-ylamino)-1-oxo-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C21H25N5O5S2/c22-33(29,30)23-13-7-6-11-17(25-21(28)31-14-15-8-2-1-3-9-15)19(27)26-20-24-16-10-4-5-12-18(16)32-20/h1-5,8-10,12,17,23H,6-7,11,13-14H2,(H,25,28)(H2,22,29,30)(H,24,26,27)/t17-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50256945
PNG
((S)-benzyl 1-(benzo[d]thiazol-2-ylamino)-1-oxo-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccccc2s1 |r|
Show InChI InChI=1S/C21H25N5O5S2/c22-33(29,30)23-13-7-6-11-17(25-21(28)31-14-15-8-2-1-3-9-15)19(27)26-20-24-16-10-4-5-12-18(16)32-20/h1-5,8-10,12,17,23H,6-7,11,13-14H2,(H,25,28)(H2,22,29,30)(H,24,26,27)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair