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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lipoamide Dehydrogenase (Lpd)' and Ligand = 'BDBM188247'   
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
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188247
PNG
(US9073941, 529)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(C)ccc1C
Show InChI InChI=1S/C20H28N4O3S/c1-14(2)23-12-19(21-13-23)28(26,27)24-9-7-17(8-10-24)20(25)22-18-11-15(3)5-6-16(18)4/h5-6,11-14,17H,7-10H2,1-4H3,(H,22,25)
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PC sid
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Similars

US Patent
n/an/a 3.92E+3n/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