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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ghrelin O-acyltransferase' and Ligand = 'BDBM289086'   
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
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM289086
PNG
(N-[(1 S)-2-[4-[2-[4-Amino-6-methyl-2-(trifluoromet...)
Show SMILES C[C@H](NC(=O)c1ccnn1C)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1 |r|
Show InChI InChI=1S/C21H28F3N7O2/c1-12-15(17(25)29-20(28-12)21(22,23)24)5-4-14-7-10-31(11-8-14)19(33)13(2)27-18(32)16-6-9-26-30(16)3/h6,9,13-14H,4-5,7-8,10-11H2,1-3H3,(H,27,32)(H2,25,28,29)/t13-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 69.5n/an/an/an/a7.5n/a



Eli Lilly and Company

US Patent


Assay Description
Prepare test compounds in DMSO to make up a 0.2 mM stock solution. Serially dilute the stock solution in DMSO to obtain a ten-point dilution curve wi...


US Patent US10093651 (2018)


BindingDB Entry DOI: 10.7270/Q2XG9T5D
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM289086
PNG
(N-[(1 S)-2-[4-[2-[4-Amino-6-methyl-2-(trifluoromet...)
Show SMILES C[C@H](NC(=O)c1ccnn1C)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1 |r|
Show InChI InChI=1S/C21H28F3N7O2/c1-12-15(17(25)29-20(28-12)21(22,23)24)5-4-14-7-10-31(11-8-14)19(33)13(2)27-18(32)16-6-9-26-30(16)3/h6,9,13-14H,4-5,7-8,10-11H2,1-3H3,(H,27,32)(H2,25,28,29)/t13-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human His-tagged GOAT expressed in baculovirus infected Sf9 cell membrane using desacyl-ghrelin-biotin and octanoyl-CoA as substrate in...


Citation and Details

Article DOI: 10.1039/d0md00210k
BindingDB Entry DOI: 10.7270/Q2KS6W53
More data for this
Ligand-Target Pair