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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 = 'BDBM396224'   
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))
BDBM396224
PNG
(3-[6-(7-Amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyr...)
Show SMILES Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCC(C)(C)C#N)n1
Show InChI InChI=1S/C17H18BrN7O/c1-9-11(13(20)14-16(22-9)25-26-24-14)6-10-4-5-12(18)15(23-10)21-8-17(2,3)7-19/h4-5H,6,8,20H2,1-3H3,(H,21,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Cells are plated with a density of 5000 cells/well in 384-well poly-D-lysin plates and incubated for 1 day at 37° C., 5% CO2 in DMEM medium, 10% FCS,...


Bioorg Med Chem Lett 17: 4664-9 (2007)


BindingDB Entry DOI: 10.7270/Q2VH5R5S
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM396224
PNG
(3-[6-(7-Amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyr...)
Show SMILES Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(NCC(C)(C)C#N)n1
Show InChI InChI=1S/C17H18BrN7O/c1-9-11(13(20)14-16(22-9)25-26-24-14)6-10-4-5-12(18)15(23-10)21-8-17(2,3)7-19/h4-5H,6,8,20H2,1-3H3,(H,21,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.100n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
Cells are plated with a density of 5000 cells/well in 384-well poly-D-lysin plates and incubated for 1 day at 37° C., 5% CO2 in DMEM medium, 10% FCS,...


Bioorg Med Chem Lett 17: 4664-9 (2007)


BindingDB Entry DOI: 10.7270/Q2VH5R5S
More data for this
Ligand-Target Pair