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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrolipoyl dehydrogenase' and Ligand = 'BDBM188309'   
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
Dihydrolipoyl dehydrogenase


(Mycobacterium tuberculosis)
BDBM188309
PNG
(US9073941, 1006)
Show SMILES CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H17N5OS/c1-2-3-10-25-18(24-20(26)16-9-6-11-27-16)13(12-21)17-19(25)23-15-8-5-4-7-14(15)22-17/h4-9,11H,2-3,10H2,1H3,(H,24,26)
PDB

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PC sid
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Similars

US Patent
n/an/a 860n/an/an/an/a7.0n/a



Academia Sinica

US Patent


Assay Description
The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...


US Patent US9073941 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BGC
More data for this
Ligand-Target Pair