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Patent code US10093651

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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))
BDBM289087
PNG
(N-[(1S)-2-[4-[2-[4-Amino- 6-methyl-2- (trifluorome...)
Show SMILES C[C@H](NC(=O)c1nccnc1Cl)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1
Show InChI InChI=1S/C21H25ClF3N7O2/c1-11-14(17(26)31-20(30-11)21(23,24)25)4-3-13-5-9-32(10-6-13)19(34)12(2)29-18(33)15-16(22)28-8-7-27-15/h7-8,12-13H,3-6,9-10H2,1-2H3,(H,29,33)(H2,26,30,31)/t12-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 55.7n/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)

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
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)

More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM289089
PNG
(N-[(1S)-2-[4-[2-[4-Amino- 6-methyl-2- (trifluorome...)
Show SMILES C[C@H](NC(=O)CO)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1
Show InChI InChI=1S/C18H26F3N5O3/c1-10-13(15(22)25-17(24-10)18(19,20)21)4-3-12-5-7-26(8-6-12)16(29)11(2)23-14(28)9-27/h11-12,27H,3-9H2,1-2H3,(H,23,28)(H2,22,24,25)/t11-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 276n/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)

More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM289088
PNG
(N-[(1S)-2-[4-[2-[4-Amino- 6-methyl-2- (trifluorome...)
Show SMILES COc1ccccc1C(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1
Show InChI InChI=1S/C24H30F3N5O3/c1-14-17(20(28)31-23(30-14)24(25,26)27)9-8-16-10-12-32(13-11-16)22(34)15(2)29-21(33)18-6-4-5-7-19(18)35-3/h4-7,15-16H,8-13H2,1-3H3,(H,29,33)(H2,28,30,31)/t15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 420n/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)

More data for this
Ligand-Target Pair
Ghrelin O-acyltransferase


(Homo sapiens (Human))
BDBM289090
PNG
(Methyl-[(1S)-2-[4-[2-[4-amino-6-methyl-2-(trifluor...)
Show SMILES COC(=O)N[C@@H](C)C(=O)N1CCC(CCc2c(C)nc(nc2N)C(F)(F)F)CC1
Show InChI InChI=1S/C18H26F3N5O3/c1-10-13(14(22)25-16(23-10)18(19,20)21)5-4-12-6-8-26(9-7-12)15(27)11(2)24-17(28)29-3/h11-12H,4-9H2,1-3H3,(H,24,28)(H2,22,23,25)/t11-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 615n/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%