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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 = 'BDBM50542145'   
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))
BDBM50542145
PNG
(CHEMBL4641571)
Show SMILES Cn1cc(NC(=O)[C@@H]2CC3(CC3)CN2C(=O)[C@H](CC2CCCC2)CC(=O)NO)cn1 |r|
Show InChI InChI=1S/C21H31N5O4/c1-25-12-16(11-22-25)23-19(28)17-10-21(6-7-21)13-26(17)20(29)15(9-18(27)24-30)8-14-4-2-3-5-14/h11-12,14-15,17,30H,2-10,13H2,1H3,(H,23,28)(H,24,27)/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 30n/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