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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 = 'BDBM217380'   
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))
BDBM217380
PNG
(CDDO-EA, 3)
Show SMILES CCNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:17,21|
Show InChI InChI=1S/C33H46N2O3/c1-9-35-27(38)33-14-12-28(2,3)18-21(33)25-22(36)16-24-30(6)17-20(19-34)26(37)29(4,5)23(30)10-11-31(24,7)32(25,8)13-15-33/h16-17,21,23,25H,9-15,18H2,1-8H3,(H,35,38)/t21-,23-,25-,30-,31+,32+,33-/m0/s1
UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GOAT expressed in baculovirus infected sf9 insect cell membrane using GSSFLC-acrylodan and octanoyl-CoA as substrate preincubated...


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))
BDBM217380
PNG
(CDDO-EA, 3)
Show SMILES CCNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:17,21|
Show InChI InChI=1S/C33H46N2O3/c1-9-35-27(38)33-14-12-28(2,3)18-21(33)25-22(36)16-24-30(6)17-20(19-34)26(37)29(4,5)23(30)10-11-31(24,7)32(25,8)13-15-33/h16-17,21,23,25H,9-15,18H2,1-8H3,(H,35,38)/t21-,23-,25-,30-,31+,32+,33-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/an/an/an/a7.025



Syracuse University



Assay Description
Assays were performed with ~100 μg of membrane protein, as determined by a Bradford assay. The membrane fraction was preincubated with 1 μM met...


Biochemistry 56: 919-931 (2017)


Article DOI: 10.1021/acs.biochem.6b01008
BindingDB Entry DOI: 10.7270/Q270808D
More data for this
Ligand-Target Pair