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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 = 'BDBM50542142'   
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))		BDBM50542142
PNG
(CHEMBL4638057)
Show SMILES Cc1csc(NC(=O)[C@@H]2CC3(CC3)CN2C(=O)[C@H](CC2CCCC2)CC(=O)NO)n1 |r|
Show InChI InChI=1S/C21H30N4O4S/c1-13-11-30-20(22-13)23-18(27)16-10-21(6-7-21)12-25(16)19(28)15(9-17(26)24-29)8-14-4-2-3-5-14/h11,14-16,29H,2-10,12H2,1H3,(H,24,26)(H,22,23,27)/t15-,16+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/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