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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Decaprenylphosphoryl-beta-D-ribose oxidase' and Ligand = 'BDBM50528131'   
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
Decaprenylphosphoryl-beta-D-ribose oxidase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50528131
PNG
(CHEMBL4441291)
Show SMILES CC1(NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O)c1ccc(cc1)S(N)(=O)=O |TLB:12:13:10.11.16:17,THB:12:11:17:18.13.14,14:13:10:16.15.17,14:15:10:18.12.13|
Show InChI InChI=1S/C22H27N3O5S/c1-21(16-2-4-17(5-3-16)31(23,29)30)19(27)25(20(28)24-21)12-18(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,13-15H,6-12H2,1H3,(H,24,28)(H2,23,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DprE1 expressed in Escherichia coli BL21(DE3) cells

J Med Chem 63: 5367-5386 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00107
BindingDB Entry DOI: 10.7270/Q24M9817
More data for this
Ligand-Target Pair