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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptide deformylase, mitochondrial' and Ligand = 'BDBM50542136'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptide deformylase, mitochondrial


(Homo sapiens (Human))
BDBM50542136
PNG
(CHEMBL4636221)
Show SMILES ONC(=O)C[C@@H](CC1CCCC1)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccc(F)cn1 |r|
Show InChI InChI=1S/C22H29FN4O4/c23-16-5-6-18(24-12-16)25-20(29)17-11-22(7-8-22)13-27(17)21(30)15(10-19(28)26-31)9-14-3-1-2-4-14/h5-6,12,14-15,17,31H,1-4,7-11,13H2,(H,26,28)(H,24,25,29)/t15-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90n/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)


Article DOI: 10.1021/acs.jmedchem.0c00079
BindingDB Entry DOI: 10.7270/Q2125X6C
More data for this
Ligand-Target Pair