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Compile Data Set for Download or QSAR

Found 1 hit of affinity data for UniProtKB/TrEMBL: O53580   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Long-chain-fatty-acid--AMP ligase FadD32


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50565056
PNG
(CHEMBL4783416)
Show SMILES CCCCCCCCCCCCOP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H38N5O7P/c1-2-3-4-5-6-7-8-9-10-11-12-32-35(30,31)33-13-16-18(28)19(29)22(34-16)27-15-26-17-20(23)24-14-25-21(17)27/h14-16,18-19,22,28-29H,2-13H2,1H3,(H,30,31)(H2,23,24,25)/t16-,18-,19-,22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
110n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv FAAL32 expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs in presence of [C14] fatty ac...


Eur J Med Chem 201: (2020)

More data for this
Ligand-Target Pair