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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Ghrelin O-acyltransferase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50094876
PNG
(CHEMBL3589129)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O
Show InChI InChI=1/C34H47N9O6/c1-22(2)16-26(31(36)46)38-32(47)27(17-24-12-7-4-8-13-24)39-33(48)28(40-34(49)29(21-44)37-30(45)18-35)20-43-19-25(41-42-43)15-9-14-23-10-5-3-6-11-23/h3-8,10-13,19,22,26-29,44H,9,14-18,20-21,35H2,1-2H3,(H2,36,46)(H,37,45)(H,38,47)(H,39,48)(H,40,49)/t26-,27-,28-,29-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human GOAT octanoylation activity expressed in insect Sf9 cell membranes using GSSFLCAcDan as substrate after 1 hr by reverse phase HPL...


Citation and Details
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens)
BDBM50094875
PNG
(CHEMBL3589130)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCCCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O
Show InChI InChI=1/C35H49N9O6/c1-23(2)17-27(32(37)47)39-33(48)28(18-25-14-7-4-8-15-25)40-34(49)29(41-35(50)30(22-45)38-31(46)19-36)21-44-20-26(42-43-44)16-10-9-13-24-11-5-3-6-12-24/h3-8,11-12,14-15,20,23,27-30,45H,9-10,13,16-19,21-22,36H2,1-2H3,(H2,37,47)(H,38,46)(H,39,48)(H,40,49)(H,41,50)/t27-,28-,29-,30-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human GOAT octanoylation activity expressed in insect Sf9 cell membranes using GSSFLCAcDan as substrate after 1 hr by reverse phase HPL...


Citation and Details
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens)
BDBM50094874
PNG
(CHEMBL3589131)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(CCc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O
Show InChI InChI=1/C33H45N9O6/c1-21(2)15-25(30(35)45)37-31(46)26(16-23-11-7-4-8-12-23)38-32(47)27(39-33(48)28(20-43)36-29(44)17-34)19-42-18-24(40-41-42)14-13-22-9-5-3-6-10-22/h3-12,18,21,25-28,43H,13-17,19-20,34H2,1-2H3,(H2,35,45)(H,36,44)(H,37,46)(H,38,47)(H,39,48)/t25-,26-,27-,28-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human GOAT octanoylation activity expressed in insect Sf9 cell membranes using GSSFLCAcDan as substrate after 1 hr by reverse phase HPL...


Citation and Details
More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens)
BDBM50094877
PNG
(CHEMBL3589128)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cn1cc(Cc2ccccc2)nn1)NC(=O)[C@H](CO)NC(=O)CN)C(N)=O
Show InChI InChI=1/C32H43N9O6/c1-20(2)13-24(29(34)44)36-30(45)25(15-22-11-7-4-8-12-22)37-31(46)26(38-32(47)27(19-42)35-28(43)16-33)18-41-17-23(39-40-41)14-21-9-5-3-6-10-21/h3-12,17,20,24-27,42H,13-16,18-19,33H2,1-2H3,(H2,34,44)(H,35,43)(H,36,45)(H,37,46)(H,38,47)/t24-,25-,26-,27-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human GOAT octanoylation activity expressed in insect Sf9 cell membranes using GSSFLCAcDan as substrate after 1 hr by reverse phase HPL...


Citation and Details
More data for this
Ligand-Target Pair