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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 = 'BDBM188260'   
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)
BDBM188260
PNG
(US9073941, 542)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2ccc(C)cc2s1
Show InChI InChI=1S/C20H25N5O3S2/c1-13(2)24-11-18(21-12-24)30(27,28)25-8-6-15(7-9-25)19(26)23-20-22-16-5-4-14(3)10-17(16)29-20/h4-5,10-13,15H,6-9H2,1-3H3,(H,22,23,26)
PDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.06E+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