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SMILES: CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2OCCOc2c1

InChI Key: InChIKey=IDEIUDFOWKTJTP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 188241   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dihydrolipoyl dehydrogenase


(Mycobacterium tuberculosis)		BDBM188241
PNG
(US9073941, 523)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C20H26N4O5S/c1-14(2)23-12-19(21-13-23)30(26,27)24-7-5-15(6-8-24)20(25)22-16-3-4-17-18(11-16)29-10-9-28-17/h3-4,11-15H,5-10H2,1-2H3,(H,22,25)
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Similars
US Patent
n/an/a 1.60E+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