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BDBM50319220 6-[3-(3-amino-4-chloro-benzoyl)-ureido]-hexanoic acid hydroxyamide::CHEMBL1083100

SMILES: Nc1cc(ccc1Cl)C(=O)NC(=O)NCCCCCC(=O)NO

InChI Key: InChIKey=IZCWUTNWQCXAHC-UHFFFAOYSA-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 = 50319220   
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))
BDBM50319220
PNG
(6-[3-(3-amino-4-chloro-benzoyl)-ureido]-hexanoic a...)
Show SMILES Nc1cc(ccc1Cl)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C14H19ClN4O4/c15-10-6-5-9(8-11(10)16)13(21)18-14(22)17-7-3-1-2-4-12(20)19-23/h5-6,8,23H,1-4,7,16H2,(H,19,20)(H2,17,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 11n/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
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50319220
PNG
(6-[3-(3-amino-4-chloro-benzoyl)-ureido]-hexanoic a...)
Show SMILES Nc1cc(ccc1Cl)C(=O)NC(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C14H19ClN4O4/c15-10-6-5-9(8-11(10)16)13(21)18-14(22)17-7-3-1-2-4-12(20)19-23/h5-6,8,23H,1-4,7,16H2,(H,19,20)(H2,17,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.25E+3n/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