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BDBM50319223 6-{3-[4-(4-Methyl-piperazin-1-yl)-3-nitro-benzoyl]-ureido}-hexanoic acid hydroxyamide::CHEMBL1084340

SMILES: CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(=O)NC(=O)NCCCCCC(=O)NO

InChI Key: InChIKey=KWMBXUBLZNWNEQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50319223   
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))
BDBM50319223
PNG
(6-{3-[4-(4-Methyl-piperazin-1-yl)-3-nitro-benzoyl]...)
Show SMILES CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C19H28N6O6/c1-23-9-11-24(12-10-23)15-7-6-14(13-16(15)25(30)31)18(27)21-19(28)20-8-4-2-3-5-17(26)22-29/h6-7,13,29H,2-5,8-12H2,1H3,(H,22,26)(H2,20,21,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319223
PNG
(6-{3-[4-(4-Methyl-piperazin-1-yl)-3-nitro-benzoyl]...)
Show SMILES CN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C19H28N6O6/c1-23-9-11-24(12-10-23)15-7-6-14(13-16(15)25(30)31)18(27)21-19(28)20-8-4-2-3-5-17(26)22-29/h6-7,13,29H,2-5,8-12H2,1H3,(H,22,26)(H2,20,21,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair