BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantothenate synthetase' and Ligand = 'BDBM50147722'   
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...)		BDBM50147722
PNG
(CHEMBL3763344)
Show SMILES COc1cc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc(OC)c1OC
Show InChI InChI=1S/C21H20N4O4S/c1-12-18(25-14-7-5-6-8-17(14)30-21(25)23-12)20(26)24-22-11-13-9-15(27-2)19(29-4)16(10-13)28-3/h5-11H,1-4H3,(H,24,26)/b22-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.07E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair