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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 = 'BDBM396236'   
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))		BDBM396236
PNG
(6-(7-Amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridi...)
Show SMILES Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NC2CC2)n1
Show InChI InChI=1S/C16H15N7O/c1-8-12(13(18)14-16(19-8)23-24-22-14)6-11-3-2-9(7-17)15(21-11)20-10-4-5-10/h2-3,10H,4-6,18H2,1H3,(H,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GOAT expressed in HEK293 cells harboring -preproghrelin in presence of Octanoate-BSA incubated for 5 hr by ELISA

Citation and Details

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


(Homo sapiens (Human))		BDBM396236
PNG
(6-(7-Amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridi...)
Show SMILES Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NC2CC2)n1
Show InChI InChI=1S/C16H15N7O/c1-8-12(13(18)14-16(19-8)23-24-22-14)6-11-3-2-9(7-17)15(21-11)20-10-4-5-10/h2-3,10H,4-6,18H2,1H3,(H,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0200n/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