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BDBM50542152 CHEMBL4641062

SMILES: ONC(=O)C[C@@H](CC1CCCC1)C(=O)N1CC2(CC2)C[C@H]1c1nc(no1)-c1ccccc1

InChI Key: InChIKey=OVNOAUWBQFKVEC-MOPGFXCFSA-N

Data: 3 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 3 hits for monomerid = 50542152   
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
Peptide deformylase mitochondrial


(Homo sapiens (Human))
BDBM50542152
PNG
(CHEMBL4641062)
Show SMILES ONC(=O)C[C@@H](CC1CCCC1)C(=O)N1CC2(CC2)C[C@H]1c1nc(no1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4/c29-20(26-31)13-18(12-16-6-4-5-7-16)23(30)28-15-24(10-11-24)14-19(28)22-25-21(27-32-22)17-8-2-1-3-9-17/h1-3,8-9,16,18-19,31H,4-7,10-15H2,(H,26,29)/t18-,19+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human PDF expressed in Escherichia coli BL21 pLysS using formyl-Met-Ala-His-Ala peptide as substrate measured after 1 hr by fluorescami...


J Med Chem 63: 6959-6978 (2020)

More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50542152
PNG
(CHEMBL4641062)
Show SMILES ONC(=O)C[C@@H](CC1CCCC1)C(=O)N1CC2(CC2)C[C@H]1c1nc(no1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4/c29-20(26-31)13-18(12-16-6-4-5-7-16)23(30)28-15-24(10-11-24)14-19(28)22-25-21(27-32-22)17-8-2-1-3-9-17/h1-3,8-9,16,18-19,31H,4-7,10-15H2,(H,26,29)/t18-,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using Boc-Lys(Ac)-pNA as substrate preincubated for 20 mins followed by substrate addition and further incubated...


J Med Chem 63: 6959-6978 (2020)

More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50542152
PNG
(CHEMBL4641062)
Show SMILES ONC(=O)C[C@@H](CC1CCCC1)C(=O)N1CC2(CC2)C[C@H]1c1nc(no1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H30N4O4/c29-20(26-31)13-18(12-16-6-4-5-7-16)23(30)28-15-24(10-11-24)14-19(28)22-25-21(27-32-22)17-8-2-1-3-9-17/h1-3,8-9,16,18-19,31H,4-7,10-15H2,(H,26,29)/t18-,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using Boc-Lys(Ac)-pNA as substrate preincubated for 20 mins followed by substrate addition and further incubated...


J Med Chem 63: 6959-6978 (2020)

More data for this
Ligand-Target Pair