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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantothenate synthetase' and Ligand = 'BDBM50446675'   
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
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50446675
PNG
(CHEMBL3113589)
Show SMILES CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H24N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15,23-25H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10+,11+,15-/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.73E+3n/an/an/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...

Bioorg Med Chem 22: 1726-35 (2014)


Article DOI: 10.1016/j.bmc.2014.01.017
BindingDB Entry DOI: 10.7270/Q2Q81FJT
More data for this
Ligand-Target Pair