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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'abdillahi-ibrahim' and Initial = 'r'   
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
Putative uncharacterized protein atpE


(Mycobacterium smegmatis)
BDBM50333125
PNG
((1R,2S)-1-(6-bromoquinolin-3-yl)-4-(dimethylamino)...)
Show SMILES CN(C)CC[C@](O)([C@H](c1ccccc1)c1cnc2ccc(Br)cc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C31H29BrN2O/c1-34(2)18-17-31(35,28-14-8-12-22-9-6-7-13-27(22)28)30(23-10-4-3-5-11-23)25-19-24-20-26(32)15-16-29(24)33-21-25/h3-16,19-21,30,35H,17-18H2,1-2H3/t30-,31-/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis MC2 155 ATP synthase subunit c-mediated ATP production at 100 nM


Antimicrob Agents Chemother 53: 1290-2 (2009)


Article DOI: 10.1128/AAC.01393-08
BindingDB Entry DOI: 10.7270/Q23R0T4V
More data for this
Ligand-Target Pair
Putative uncharacterized protein atpE


(Mycobacterium smegmatis)
BDBM50333125
PNG
((1R,2S)-1-(6-bromoquinolin-3-yl)-4-(dimethylamino)...)
Show SMILES CN(C)CC[C@](O)([C@H](c1ccccc1)c1cnc2ccc(Br)cc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C31H29BrN2O/c1-34(2)18-17-31(35,28-14-8-12-22-9-6-7-13-27(22)28)30(23-10-4-3-5-11-23)25-19-24-20-26(32)15-16-29(24)33-21-25/h3-16,19-21,30,35H,17-18H2,1-2H3/t30-,31-/m1/s1
PDB

KEGG

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis MC2 155 ATP synthase subunit c-mediated ATP production


Antimicrob Agents Chemother 53: 1290-2 (2009)


Article DOI: 10.1128/AAC.01393-08
BindingDB Entry DOI: 10.7270/Q23R0T4V
More data for this
Ligand-Target Pair