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BDBM188242 US9073941, 524

SMILES: CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1F

InChI Key: InChIKey=PVPUQPLBODEJKO-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 188242   
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
Lipoamide Dehydrogenase (Lpd)


(Mycobacterium tuberculosis)
BDBM188242
PNG
(US9073941, 524)
Show SMILES CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C18H23FN4O3S/c1-13(2)22-11-17(20-12-22)27(25,26)23-9-7-14(8-10-23)18(24)21-16-6-4-3-5-15(16)19/h3-6,11-14H,7-10H2,1-2H3,(H,21,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.67E+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